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

Systemtic Name: 1H-imidazol-2-ylmethyl-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-3-yl]methyl]azanium Openeye Name: 1H-imidazol-2-ylmethyl-[[2-[4-(o-tolyl)piperazin-1-yl]-3-pyridyl]methyl]ammonium CAS Name: 1H-imidazol-2-ylmethyl-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: 1H-imidazol-2-ylmethyl-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-3-yl]methyl]azanium Traditional Name: 1H-imidazol-2-ylmethyl-[[2-[4-(o-tolyl)piperazino]-3-pyridyl]methyl]ammonium Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=N3)C[NH2+]CC4=NC=CN4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=N3)C[NH2+]CC4=NC=CN4

InChI

InChI=1S/C21H26N6/c1-17-5-2-3-7-19(17)26-11-13-27(14-12-26)21-18(6-4-8-25-21)15-22-16-20-23-9-10-24-20/h2-10,22H,11-16H2,1H3,(H,23,24)/p+1