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

Systemtic Name: [(3R)-4-(3,4-dimethoxyphenyl)sulfanyl-3-oxidanyl-butyl]azanium Openeye Name: [(3R)-4-(3,4-dimethoxyphenyl)sulfanyl-3-hydroxy-butyl]ammonium CAS Name: [(3R)-4-[(3,4-dimethoxyphenyl)thio]-3-hydroxybutyl]ammonium IUPAC Name: [(3R)-4-(3,4-dimethoxyphenyl)sulfanyl-3-hydroxybutyl]azanium Traditional Name: [(3R)-4-[(3,4-dimethoxyphenyl)thio]-3-hydroxy-butyl]ammonium Formula: C12H20NO3S+ MolecularWeight: 258.3571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(CC[NH3+])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SC[C@@H](CC[NH3+])O)OC

InChI

InChI=1S/C12H19NO3S/c1-15-11-4-3-10(7-12(11)16-2)17-8-9(14)5-6-13/h3-4,7,9,14H,5-6,8,13H2,1-2H3/p+1/t9-/m1/s1