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

Systemtic Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-methyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-indolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-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=[N+](C=C4)C

Isomeric SMILES

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

InChI

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