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

Systemtic Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Openeye Name: N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide CAS Name: N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]cyclopentanecarboxamide IUPAC Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Traditional Name: N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCC4

InChI

InChI=1S/C23H30N4O/c1-18-7-2-5-11-21(18)26-13-15-27(16-14-26)22-20(10-6-12-24-22)17-25-23(28)19-8-3-4-9-19/h2,5-7,10-12,19H,3-4,8-9,13-17H2,1H3,(H,25,28)/p+1