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

Systemtic Name: N-butyl-1-cyclohexyl-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-butyl-1-cyclohexyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-butyl-1-cyclohexyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-butyl-1-cyclohexyl-4-oxo-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-butyl-1-cyclohexyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O3S/c1-2-3-11-27-25(32)22-18-30(20-8-5-4-6-9-20)19-23(24(22)31)26(33)29-14-12-28(13-15-29)17-21-10-7-16-34-21/h7,10,16,18-20H,2-6,8-9,11-15,17H2,1H3,(H,27,32)/p+1