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

Systemtic Name: N-methyl-4-oxidanylidene-1-phenethyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-methyl-4-oxo-1-phenethyl-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide CAS Name: N-methyl-4-oxo-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-phenethyl-3-pyridinecarboxamide IUPAC Name: N-methyl-4-oxo-1-phenethyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 4-keto-N-methyl-1-phenethyl-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S/c1-26-24(31)21-17-28(10-9-19-6-3-2-4-7-19)18-22(23(21)30)25(32)29-13-11-27(12-14-29)16-20-8-5-15-33-20/h2-8,15,17-18H,9-14,16H2,1H3,(H,26,31)/p+1