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

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c1-21-6-5-9-23(18-21)27-14-10-26(11-15-27)20-24(29)28-16-12-25(13-17-28)19-22-7-3-2-4-8-22/h2-9,18H,10-17,19-20H2,1H3/p+1