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

Systemtic Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Openeye Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide CAS Name: N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]cyclopentanecarboxamide IUPAC Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Traditional Name: N-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]cyclopentanecarboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CCCC4

InChI

InChI=1S/C23H30N4O2/c1-29-21-11-5-4-10-20(21)26-13-15-27(16-14-26)22-19(9-6-12-24-22)17-25-23(28)18-7-2-3-8-18/h4-6,9-12,18H,2-3,7-8,13-17H2,1H3,(H,25,28)/p+1