[(3R)-4-(2,4-dimethylphenyl)sulfanyl-3-oxidanyl-butyl]azanium

Systemtic Name: [(3R)-4-(2,4-dimethylphenyl)sulfanyl-3-oxidanyl-butyl]azanium Openeye Name: [(3R)-4-(2,4-dimethylphenyl)sulfanyl-3-hydroxy-butyl]ammonium CAS Name: [(3R)-4-[(2,4-dimethylphenyl)thio]-3-hydroxybutyl]ammonium IUPAC Name: [(3R)-4-(2,4-dimethylphenyl)sulfanyl-3-hydroxybutyl]azanium Traditional Name: [(3R)-4-[(2,4-dimethylphenyl)thio]-3-hydroxy-butyl]ammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(CC[NH3+])O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC[C@@H](CC[NH3+])O)C

InChI

InChI=1S/C12H19NOS/c1-9-3-4-12(10(2)7-9)15-8-11(14)5-6-13/h3-4,7,11,14H,5-6,8,13H2,1-2H3/p+1/t11-/m1/s1