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

Systemtic Name: N-tert-butyl-4-oxidanylidene-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-isopropyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-tert-butyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-tert-butyl-1-isopropyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC(C)(C)C

InChI

InChI=1S/C23H32N4O3S/c1-16(2)27-14-18(21(29)24-23(3,4)5)20(28)19(15-27)22(30)26-10-8-25(9-11-26)13-17-7-6-12-31-17/h6-7,12,14-16H,8-11,13H2,1-5H3,(H,24,29)/p+1