1-cyclohexyl-N-(2-methylpropyl)-4-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridine-3-carboxamide

Systemtic Name: 1-cyclohexyl-N-(2-methylpropyl)-4-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridine-3-carboxamide Openeye Name: 1-cyclohexyl-N-isobutyl-4-oxo-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide CAS Name: 1-cyclohexyl-N-(2-methylpropyl)-4-oxo-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 1-cyclohexyl-N-(2-methylpropyl)-4-oxo-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide Traditional Name: 1-cyclohexyl-N-isobutyl-4-keto-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)nicotinamide Formula: C26H36N5O3+ MolecularWeight: 466.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCCC4

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CCCCC4

InChI

InChI=1S/C26H35N5O3/c1-19(2)16-28-25(33)21-17-31(20-8-4-3-5-9-20)18-22(24(21)32)26(34)30-14-12-29(13-15-30)23-10-6-7-11-27-23/h6-7,10-11,17-20H,3-5,8-9,12-16H2,1-2H3,(H,28,33)/p+1