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

Systemtic Name: N-tert-butyl-1-cyclohexyl-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-cyclohexyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-tert-butyl-1-cyclohexyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-cyclohexyl-4-oxo-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-tert-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:

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

Isomeric SMILES

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

InChI

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