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

Systemtic Name: N-tert-butyl-1-(3-methylbutyl)-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-isopentyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-tert-butyl-1-(3-methylbutyl)-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-(3-methylbutyl)-4-oxo-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-tert-butyl-1-isoamyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C25H37N4O3S+ MolecularWeight: 473.65128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H36N4O3S/c1-18(2)8-9-28-16-20(23(31)26-25(3,4)5)22(30)21(17-28)24(32)29-12-10-27(11-13-29)15-19-7-6-14-33-19/h6-7,14,16-18H,8-13,15H2,1-5H3,(H,26,31)/p+1