N',N'-dimethyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]butanediamide

Systemtic Name: N',N'-dimethyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]butanediamide Openeye Name: N',N'-dimethyl-N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]butanediamide CAS Name: N',N'-dimethyl-N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]butanediamide IUPAC Name: N',N'-dimethyl-N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]butanediamide Traditional Name: N',N'-dimethyl-N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]succinamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-18-7-4-5-9-20(18)27-13-15-28(16-14-27)23-19(8-6-12-24-23)17-25-21(29)10-11-22(30)26(2)3/h4-9,12H,10-11,13-17H2,1-3H3,(H,25,29)/p+1