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

Systemtic Name: N-butyl-1-cyclohexyl-4-oxidanylidene-5-(4-propan-2-ylpiperazin-4-ium-1-yl)carbonyl-pyridine-3-carboxamide Openeye Name: N-butyl-1-cyclohexyl-5-(4-isopropylpiperazin-4-ium-1-carbonyl)-4-oxo-pyridine-3-carboxamide CAS Name: N-butyl-1-cyclohexyl-4-oxo-5-[oxo-(4-propan-2-yl-1-piperazin-4-iumyl)methyl]-3-pyridinecarboxamide IUPAC Name: N-butyl-1-cyclohexyl-4-oxo-5-(4-propan-2-ylpiperazin-4-ium-1-carbonyl)pyridine-3-carboxamide Traditional Name: N-butyl-1-cyclohexyl-5-(4-isopropylpiperazin-4-ium-1-carbonyl)-4-keto-nicotinamide Formula: C24H39N4O3+ MolecularWeight: 431.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C(C)C)C3CCCCC3

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)C(C)C)C3CCCCC3

InChI

InChI=1S/C24H38N4O3/c1-4-5-11-25-23(30)20-16-28(19-9-7-6-8-10-19)17-21(22(20)29)24(31)27-14-12-26(13-15-27)18(2)3/h16-19H,4-15H2,1-3H3,(H,25,30)/p+1