[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-3-yl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [2-[4-(o-tolyl)piperazin-1-yl]-3-pyridyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridinyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2-[4-(o-tolyl)piperazino]-3-pyridyl]methyl-(4-pyridylmethyl)ammonium Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=N3)C[NH2+]CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=N3)C[NH2+]CC4=CC=NC=C4

InChI

InChI=1S/C23H27N5/c1-19-5-2-3-7-22(19)27-13-15-28(16-14-27)23-21(6-4-10-26-23)18-25-17-20-8-11-24-12-9-20/h2-12,25H,13-18H2,1H3/p+1