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

Systemtic Name: (1-methylimidazol-2-yl)methyl-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (1-methylimidazol-2-yl)methyl-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (1-methyl-2-imidazolyl)methyl-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (1-methylimidazol-2-yl)methyl-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (1-methylimidazol-2-yl)methyl-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]ammonium Formula: C22H30N6+2 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=NC=CN4C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)C[NH2+]CC4=NC=CN4C

InChI

InChI=1S/C22H28N6/c1-18-6-3-4-8-20(18)27-12-14-28(15-13-27)22-19(7-5-9-25-22)16-23-17-21-24-10-11-26(21)2/h3-11,23H,12-17H2,1-2H3/p+2