6-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-6-[[4-(p-tolyl)piperazin-1-ium-1-yl]methyl]-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide CAS Name: 6-[[4-(4-methylphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[[4-(p-tolyl)piperazin-1-ium-1-yl]methyl]-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C(=O)N3)C(=O)NC(C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(C(=O)N3)C(=O)N[C@@H](C)C4=CC=CS4

InChI

InChI=1S/C24H28N4O2S/c1-17-5-8-20(9-6-17)28-13-11-27(12-14-28)16-19-7-10-21(24(30)26-19)23(29)25-18(2)22-4-3-15-31-22/h3-10,15,18H,11-14,16H2,1-2H3,(H,25,29)(H,26,30)/p+1/t18-/m0/s1