(2R,4S)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-(4-methoxyphenyl)-5,5-dimethyl-thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-(4-methoxyphenyl)-5,5-dimethyl-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-(4-methoxyphenyl)-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-(4-methoxyphenyl)-5,5-dimethyl-thiazolidin-3-ium-4-carboxylate Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([NH2+]C(S1)C2=CC=C(C=C2)OC)C(=O)[O-])C

Isomeric SMILES

CC1([C@@H]([NH2+][C@H](S1)C2=CC=C(C=C2)OC)C(=O)[O-])C

InChI

InChI=1S/C13H17NO3S/c1-13(2)10(12(15)16)14-11(18-13)8-4-6-9(17-3)7-5-8/h4-7,10-11,14H,1-3H3,(H,15,16)/t10-,11+/m0/s1