2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride

Catalog No. :: ACQPXW530
CAS No. :: 1663449-60-2
Molecular Formula :: C47H63ClN4O5
Molecular Weight :: 799.50

IUPAC Name:2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride

2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride structure diagram

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Product Information

Product Name	2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
IUPAC Name	2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
Molecular Formula	C47H63ClN4O5
Molecular Weight	799.50
SMILES	C[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)NCCOCCOCCNC(=O)OCC3[C@H]4CCC#CCC[C@@H]34)C3=CC=CC=C3C2(C)C)C(C)(C)C2=CC=CC=C21.[Cl-]
InChI Key	NPJOVZIYCMDQAT-JRBVSPJESA-N
CAS No.	1663449-60-2

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2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride

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Synthetic Route by SureRoute

1. ACQPXW530 Molecular Building Block Synthetic Route

2. ACQPXW530 Molecular Building Block Synthetic Route

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2-((E)-3-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,14-dioxo-2,7,10-trioxa-4,13-diazanonadecan-19-yl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride

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Synthetic Route by SureRoute

2-((1E,3E)-5-((E)-1-(1-((1R,8S)-bicyclo[6.1.0]non-4-yn-9-yl)-3,17-dioxo-2,7,10,13-tetraoxa-4,16-diazadocosan-22-yl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride

2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)indolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium

3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-2-(3-(1,3,3-trimethylindolin-2-ylidene)prop-1-en-1-yl)-3H-indol-1-ium

2-(3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride

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