1-cyclohexyl-N-methyl-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide

Systemtic Name: 1-cyclohexyl-N-methyl-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: 1-cyclohexyl-N-methyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: 1-cyclohexyl-N-methyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 1-cyclohexyl-N-methyl-4-oxo-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 1-cyclohexyl-4-keto-N-methyl-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C4CCCCC4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C23H30N4O3S/c1-24-22(29)19-15-27(17-6-3-2-4-7-17)16-20(21(19)28)23(30)26-11-9-25(10-12-26)14-18-8-5-13-31-18/h5,8,13,15-17H,2-4,6-7,9-12,14H2,1H3,(H,24,29)/p+1