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

Systemtic Name: 1-(azepan-1-yl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[1-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-indolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-3-yl]propan-1-one Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O/c1-24-14-16-25(17-15-24)19-27-18-20(21-8-4-5-9-22(21)27)10-11-23(28)26-12-6-2-3-7-13-26/h4-5,8-9,18H,2-3,6-7,10-17,19H2,1H3/p+1