1-(azepan-1-yl)-2-[3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indol-1-yl]ethanone Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N3O/c1-25-16-12-20(13-17-25)10-11-21-18-27(23-9-5-4-8-22(21)23)19-24(28)26-14-6-2-3-7-15-26/h4-5,8-13,16-18H,2-3,6-7,14-15,19H2,1H3/q+1