(2S,4R)-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4R)-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-[4-methoxy-3-(morpholinomethyl)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-[4-methoxy-3-(morpholinomethyl)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2[NH2+]C(CS2)C(=O)[O-])CN3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-])CN3CCOCC3

InChI

InChI=1S/C16H22N2O4S/c1-21-14-3-2-11(15-17-13(10-23-15)16(19)20)8-12(14)9-18-4-6-22-7-5-18/h2-3,8,13,15,17H,4-7,9-10H2,1H3,(H,19,20)/t13-,15-/m0/s1