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

Systemtic Name: N-(2-methylpropyl)-4-oxidanylidene-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-isobutyl-1-isopropyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-(2-methylpropyl)-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-isobutyl-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)CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3S/c1-16(2)12-24-22(29)19-14-27(17(3)4)15-20(21(19)28)23(30)26-9-7-25(8-10-26)13-18-6-5-11-31-18/h5-6,11,14-17H,7-10,12-13H2,1-4H3,(H,24,29)/p+1