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

Systemtic Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopropanecarboxamide Openeye Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopropanecarboxamide CAS Name: N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]cyclopropanecarboxamide IUPAC Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]cyclopropanecarboxamide Traditional Name: N-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl]cyclopropanecarboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C4CC4

InChI

InChI=1S/C21H26N4O2/c1-27-19-7-3-2-6-18(19)24-11-13-25(14-12-24)20-17(5-4-10-22-20)15-23-21(26)16-8-9-16/h2-7,10,16H,8-9,11-15H2,1H3,(H,23,26)/p+1