(3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxidanylidene-thian-4-ol hydrochloride

Systemtic Name: (3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxidanylidene-thian-4-ol hydrochloride Openeye Name: (3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxo-thian-4-ol hydrochloride CAS Name: (3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxo-4-thianol hydrochloride IUPAC Name: (3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxothian-4-ol hydrochloride Traditional Name: (3R,4S)-3-(dimethylaminomethyl)-1-keto-4-(3-methoxyphenyl)thian-4-ol hydrochloride Formula: C15H24ClNO3S MolecularWeight: 333.87396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CS(=O)CCC1(C2=CC(=CC=C2)OC)O.Cl

Isomeric SMILES

CN(C)C[C@H]1CS(=O)CC[C@]1(C2=CC(=CC=C2)OC)O.Cl

InChI

InChI=1S/C15H23NO3S.ClH/c1-16(2)10-13-11-20(18)8-7-15(13,17)12-5-4-6-14(9-12)19-3;/h4-6,9,13,17H,7-8,10-11H2,1-3H3;1H/t13-,15+,20?;/m0./s1