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

Systemtic Name: N-ethyl-1-(2-methylpropyl)-4-oxidanylidene-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-ethyl-1-isobutyl-4-oxo-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-ethyl-1-(2-methylpropyl)-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-ethyl-1-(2-methylpropyl)-4-oxo-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-ethyl-1-isobutyl-4-keto-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-4-23-21(28)18-14-25(12-16(2)3)15-19(20(18)27)22(29)26-9-7-24(8-10-26)13-17-6-5-11-30-17/h5-6,11,14-16H,4,7-10,12-13H2,1-3H3,(H,23,28)/p+1