ethyl 1-[[3-(2,5-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2,5-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(2,5-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2,5-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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