1-cyclohexyl-N5-methyl-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide

Systemtic Name: 1-cyclohexyl-N5-methyl-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N3-(1-benzylpiperidin-1-ium-4-yl)-1-cyclohexyl-N5-methyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-cyclohexyl-N5-methyl-4-oxo-N3-[1-(phenylmethyl)-4-piperidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 3-N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclohexyl-5-N-methyl-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclohexyl-4-keto-N'-methyl-dinicotinamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H34N4O3/c1-27-25(32)22-17-30(21-10-6-3-7-11-21)18-23(24(22)31)26(33)28-20-12-14-29(15-13-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,17-18,20-21H,3,6-7,10-16H2,1H3,(H,27,32)(H,28,33)/p+1