[(3S,4R)-4-(3-hydroxyphenyl)-4-oxidanyl-thian-3-yl]methyl-dimethyl-azanium

Systemtic Name: [(3S,4R)-4-(3-hydroxyphenyl)-4-oxidanyl-thian-3-yl]methyl-dimethyl-azanium Openeye Name: [(3S,4R)-4-hydroxy-4-(3-hydroxyphenyl)tetrahydrothiopyran-3-yl]methyl-dimethyl-ammonium CAS Name: [(3S,4R)-4-hydroxy-4-(3-hydroxyphenyl)-3-thianyl]methyl-dimethylammonium IUPAC Name: [(3S,4R)-4-hydroxy-4-(3-hydroxyphenyl)thian-3-yl]methyl-dimethylazanium Traditional Name: [(3S,4R)-4-hydroxy-4-(3-hydroxyphenyl)tetrahydrothiopyran-3-yl]methyl-dimethyl-ammonium Formula: C14H22NO2S+ MolecularWeight: 268.39498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1CSCCC1(C2=CC(=CC=C2)O)O

Isomeric SMILES

C[NH+](C)C[C@@H]1CSCC[C@@]1(C2=CC(=CC=C2)O)O

InChI

InChI=1S/C14H21NO2S/c1-15(2)9-12-10-18-7-6-14(12,17)11-4-3-5-13(16)8-11/h3-5,8,12,16-17H,6-7,9-10H2,1-2H3/p+1/t12-,14+/m1/s1