[(3R)-4-(4-methoxy-2,5-dimethyl-phenyl)sulfanyl-3-oxidanyl-butyl]azanium

Systemtic Name: [(3R)-4-(4-methoxy-2,5-dimethyl-phenyl)sulfanyl-3-oxidanyl-butyl]azanium Openeye Name: [(3R)-3-hydroxy-4-(4-methoxy-2,5-dimethyl-phenyl)sulfanyl-butyl]ammonium CAS Name: [(3R)-3-hydroxy-4-[(4-methoxy-2,5-dimethylphenyl)thio]butyl]ammonium IUPAC Name: [(3R)-3-hydroxy-4-(4-methoxy-2,5-dimethylphenyl)sulfanylbutyl]azanium Traditional Name: [(3R)-3-hydroxy-4-[(4-methoxy-2,5-dimethyl-phenyl)thio]butyl]ammonium Formula: C13H22NO2S+ MolecularWeight: 256.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCC(CC[NH3+])O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1SC[C@@H](CC[NH3+])O)C)OC

InChI

InChI=1S/C13H21NO2S/c1-9-7-13(10(2)6-12(9)16-3)17-8-11(15)4-5-14/h6-7,11,15H,4-5,8,14H2,1-3H3/p+1/t11-/m1/s1