2-[(2S,5R)-2-(4-ethoxyphenyl)-5-methyl-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S,5R)-2-(4-ethoxyphenyl)-5-methyl-4-oxidanylidene-1,3-thiazolidin-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S,5R)-2-(4-ethoxyphenyl)-5-methyl-4-oxo-thiazolidin-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S,5R)-2-(4-ethoxyphenyl)-5-methyl-4-oxo-3-thiazolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(2S,5R)-2-(4-ethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S,5R)-4-keto-5-methyl-2-p-phenetyl-thiazolidin-3-yl]ethyl-dimethyl-ammonium Formula: C16H25N2O2S+ MolecularWeight: 309.4469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2N(C(=O)C(S2)C)CC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2N(C(=O)[C@H](S2)C)CC[NH+](C)C

InChI

InChI=1S/C16H24N2O2S/c1-5-20-14-8-6-13(7-9-14)16-18(11-10-17(3)4)15(19)12(2)21-16/h6-9,12,16H,5,10-11H2,1-4H3/p+1/t12-,16+/m1/s1