(3,3-dimethyl-2-phenyl-1,3-thiazolidin-3-ium-4-yl)methanol; 4-methylbenzenesulfonate

Systemtic Name: (3,3-dimethyl-2-phenyl-1,3-thiazolidin-3-ium-4-yl)methanol; 4-methylbenzenesulfonate Openeye Name: (3,3-dimethyl-2-phenyl-thiazolidin-3-ium-4-yl)methanol; 4-methylbenzenesulfonate CAS Name: (3,3-dimethyl-2-phenyl-4-thiazolidin-3-iumyl)methanol; 4-methylbenzenesulfonate IUPAC Name: (3,3-dimethyl-2-phenyl-1,3-thiazolidin-3-ium-4-yl)methanol; 4-methylbenzenesulfonate Traditional Name: (3,3-dimethyl-2-phenyl-thiazolidin-3-ium-4-yl)methanol tosylate Formula: C19H25NO4S2 MolecularWeight: 395.5361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C(CSC1C2=CC=CC=C2)CO)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C(CSC1C2=CC=CC=C2)CO)C

InChI

InChI=1S/C12H18NOS.C7H8O3S/c1-13(2)11(8-14)9-15-12(13)10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,11-12,14H,8-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1