1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)C(=O)N)C

InChI

InChI=1S/C21H26N4O2S/c1-14-12-15(2)25(21(28)19(14)20(22)27)13-23-8-10-24(11-9-23)18-6-4-17(5-7-18)16(3)26/h4-7,12H,8-11,13H2,1-3H3,(H2,22,27)/p+1