(2S)-1-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-methyl-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-methyl-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-methyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-methyl-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]piperidin-1-ium-2-carboxamide Formula: C24H35N5O+2 MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCC[NH+]4C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)[C@@H]4CCCC[NH+]4C

InChI

InChI=1S/C24H33N5O/c1-19-8-3-4-10-21(19)28-14-16-29(17-15-28)23-20(9-7-12-25-23)18-26-24(30)22-11-5-6-13-27(22)2/h3-4,7-10,12,22H,5-6,11,13-18H2,1-2H3,(H,26,30)/p+2/t22-/m0/s1