3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propyl-trimethyl-azanium dibromide

Systemtic Name: 3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propyl-trimethyl-azanium dibromide Openeye Name: 3-[4-[(E)-2-(1H-indol-3-yl)vinyl]pyridin-1-ium-1-yl]propyl-trimethyl-ammonium dibromide CAS Name: 3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]-1-pyridin-1-iumyl]propyl-trimethylammonium dibromide IUPAC Name: 3-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]propyl-trimethylazanium dibromide Traditional Name: 3-[4-[(E)-2-(1H-indol-3-yl)vinyl]pyridin-1-ium-1-yl]propyl-trimethyl-ammonium dibromide Formula: C21H27Br2N3 MolecularWeight: 481.26718

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C=CC2=CNC3=CC=CC=C32.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCC[N+]1=CC=C(C=C1)/C=C/C2=CNC3=CC=CC=C32.[Br-].[Br-]

InChI

InChI=1S/C21H26N3.2BrH/c1-24(2,3)16-6-13-23-14-11-18(12-15-23)9-10-19-17-22-21-8-5-4-7-20(19)21;;/h4-5,7-12,14-15,17H,6,13,16H2,1-3H3;2*1H/q+1;;/p-1