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

Systemtic Name: N-methyl-4-oxidanylidene-1-(3-phenylpropyl)-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridine-3-carboxamide Openeye Name: N-methyl-4-oxo-1-(3-phenylpropyl)-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-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: N-methyl-4-oxo-1-(3-phenylpropyl)-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridine-3-carboxamide Traditional Name: 4-keto-N-methyl-1-(3-phenylpropyl)-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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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)CCCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-27-25(32)22-18-29(11-5-9-20-7-3-2-4-8-20)19-23(24(22)31)26(33)30-14-12-28(13-15-30)17-21-10-6-16-34-21/h2-4,6-8,10,16,18-19H,5,9,11-15,17H2,1H3,(H,27,32)/p+1