[3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol; 4-methylbenzenesulfonate

Systemtic Name: [3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol; 4-methylbenzenesulfonate Openeye Name: (2-isobutyl-3,3-dimethyl-thiazolidin-3-ium-4-yl)methanol; 4-methylbenzenesulfonate CAS Name: [3,3-dimethyl-2-(2-methylpropyl)-4-thiazolidin-3-iumyl]methanol; 4-methylbenzenesulfonate IUPAC Name: [3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol; 4-methylbenzenesulfonate Traditional Name: (2-isobutyl-3,3-dimethyl-thiazolidin-3-ium-4-yl)methanol tosylate Formula: C17H29NO4S2 MolecularWeight: 375.54646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CC1[N+](C(CS1)CO)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CC1[N+](C(CS1)CO)(C)C

InChI

InChI=1S/C10H22NOS.C7H8O3S/c1-8(2)5-10-11(3,4)9(6-12)7-13-10;1-6-2-4-7(5-3-6)11(8,9)10/h8-10,12H,5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1