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

Systemtic Name: N-(cyclohexylmethyl)-1-cyclopropyl-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-(cyclohexylmethyl)-1-cyclopropyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-(cyclohexylmethyl)-1-cyclopropyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-1-cyclopropyl-4-oxo-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-(cyclohexylmethyl)-1-cyclopropyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C26H35N4O3S+ MolecularWeight: 483.6461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CS4)C5CC5

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CN(C=C(C2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C26H34N4O3S/c31-24-22(25(32)27-15-19-5-2-1-3-6-19)17-30(20-8-9-20)18-23(24)26(33)29-12-10-28(11-13-29)16-21-7-4-14-34-21/h4,7,14,17-20H,1-3,5-6,8-13,15-16H2,(H,27,32)/p+1