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

Systemtic Name: 4,6-dimethyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S2/c1-14-12-15(2)23(19(27)17(14)18(20)24)13-21-8-10-22(11-9-21)28(25,26)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H2,20,24)/p+1