ethyl 1-[[3-(2-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(o-tolyl)-2-thioxo-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(o-tolyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC=CC=C3C

InChI

InChI=1S/C19H25N3O2S/c1-3-24-18(23)16-8-10-20(11-9-16)14-21-12-13-22(19(21)25)17-7-5-4-6-15(17)2/h4-7,12-13,16H,3,8-11,14H2,1-2H3/p+1