1-(2-methylpropyl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-piperidin-1-ylcarbonyl-pyridine-3-carboxamide

Systemtic Name: 1-(2-methylpropyl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-piperidin-1-ylcarbonyl-pyridine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-isobutyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide CAS Name: 1-(2-methylpropyl)-4-oxo-5-[oxo(1-piperidinyl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-isobutyl-4-keto-5-(piperidine-1-carbonyl)nicotinamide Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O3/c1-21(2)17-31-19-24(26(33)25(20-31)28(35)32-13-7-4-8-14-32)27(34)29-23-11-15-30(16-12-23)18-22-9-5-3-6-10-22/h3,5-6,9-10,19-21,23H,4,7-8,11-18H2,1-2H3,(H,29,34)/p+1