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

Systemtic Name: 1-cyclopentyl-N3-methyl-N3-(2-methylpropyl)-4-oxidanylidene-N5-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3,5-dicarboxamide Openeye Name: N5-(1-benzylpiperidin-1-ium-4-yl)-1-cyclopentyl-N3-isobutyl-N3-methyl-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-cyclopentyl-N3-methyl-N3-(2-methylpropyl)-4-oxo-N5-[1-(phenylmethyl)-4-piperidin-1-iumyl]pyridine-3,5-dicarboxamide IUPAC Name: 5-N-(1-benzylpiperidin-1-ium-4-yl)-1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N'-(1-benzylpiperidin-1-ium-4-yl)-1-cyclopentyl-N-isobutyl-4-keto-N-methyl-dinicotinamide Formula: C29H41N4O3+ MolecularWeight: 493.66084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCC4

Isomeric SMILES

CC(C)CN(C)C(=O)C1=CN(C=C(C1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C4CCCC4

InChI

InChI=1S/C29H40N4O3/c1-21(2)17-31(3)29(36)26-20-33(24-11-7-8-12-24)19-25(27(26)34)28(35)30-23-13-15-32(16-14-23)18-22-9-5-4-6-10-22/h4-6,9-10,19-21,23-24H,7-8,11-18H2,1-3H3,(H,30,35)/p+1