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

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-14-12-15(2)24(20(27)18(14)19(21)25)13-22-8-10-23(11-9-22)16-4-6-17(26-3)7-5-16/h4-7,12H,8-11,13H2,1-3H3,(H2,21,25)/p+1