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

Systemtic Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-methyl-3-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]indol-1-yl]ethanone Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)N3CCCCCC3)C=CC4=CC=CC=[N+]4C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)N3CCCCCC3)/C=C/C4=CC=CC=[N+]4C

InChI

InChI=1S/C25H30N3O/c1-20-22(15-14-21-11-7-10-16-26(21)2)23-12-5-6-13-24(23)28(20)19-25(29)27-17-8-3-4-9-18-27/h5-7,10-16H,3-4,8-9,17-19H2,1-2H3/q+1