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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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