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

Systemtic Name: ethyl 1-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(4-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(4-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-3-25-18(23)15-8-10-20(11-9-15)14-21-12-13-22(19(21)26)16-4-6-17(24-2)7-5-16/h4-7,12-13,15H,3,8-11,14H2,1-2H3/p+1