1-(azepan-1-yl)-4-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[1-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]butan-1-one Formula: C24H37N4O+ MolecularWeight: 397.57678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H36N4O/c1-25-15-17-26(18-16-25)20-28-19-21(22-10-4-5-11-23(22)28)9-8-12-24(29)27-13-6-2-3-7-14-27/h4-5,10-11,19H,2-3,6-9,12-18,20H2,1H3/p+1