1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C23H30ClN4O+ MolecularWeight: 413.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H29ClN4O/c1-19-5-2-3-8-22(19)27-11-9-25(10-12-27)18-23(29)28-15-13-26(14-16-28)21-7-4-6-20(24)17-21/h2-8,17H,9-16,18H2,1H3/p+1