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

Systemtic Name: ethyl 1-[[3-(2,3-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(2,3-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2,3-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2,3-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(2,3-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-4-25-19(24)17-8-10-21(11-9-17)14-22-12-13-23(20(22)26)18-7-5-6-15(2)16(18)3/h5-7,12-13,17H,4,8-11,14H2,1-3H3/p+1