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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C=CN(C2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C=CN(C2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N3O3S/c1-3-25-18(23)15-5-4-10-20(13-15)14-21-11-12-22(19(21)26)16-6-8-17(24-2)9-7-16/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3/p+1/t15-/m0/s1