dimethyl-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: dimethyl-[2-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxo-ethyl]ammonium CAS Name: dimethyl-[2-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methylamino]-2-oxoethyl]ammonium IUPAC Name: dimethyl-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methylamino]ethyl]-dimethyl-ammonium Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C[NH+](C)C

InChI

InChI=1S/C21H29N5O/c1-17-7-4-5-9-19(17)25-11-13-26(14-12-25)21-18(8-6-10-22-21)15-23-20(27)16-24(2)3/h4-10H,11-16H2,1-3H3,(H,23,27)/p+2