1-cyclohexyl-N5-(2-methylpropyl)-4-oxidanylidene-N3-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide

Systemtic Name: 1-cyclohexyl-N5-(2-methylpropyl)-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-isobutyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-cyclohexyl-N5-(2-methylpropyl)-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-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclohexyl-N'-isobutyl-4-keto-dinicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O3/c1-21(2)17-30-28(35)25-19-33(24-11-7-4-8-12-24)20-26(27(25)34)29(36)31-23-13-15-32(16-14-23)18-22-9-5-3-6-10-22/h3,5-6,9-10,19-21,23-24H,4,7-8,11-18H2,1-2H3,(H,30,35)(H,31,36)/p+1