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

Systemtic Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide 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)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)C[NH+]4CCCCC4

InChI

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