[(2S)-3-(2-methoxy-5-methyl-phenyl)sulfanyl-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(2-methoxy-5-methyl-phenyl)sulfanyl-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-2-hydroxy-3-(2-methoxy-5-methyl-phenyl)sulfanyl-propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(2-methoxy-5-methylphenyl)thio]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methoxy-5-methylphenyl)sulfanylpropyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[(2-methoxy-5-methyl-phenyl)thio]propyl]-methyl-ammonium Formula: C12H20NO2S+ MolecularWeight: 242.3577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)SCC(C[NH2+]C)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)SC[C@H](C[NH2+]C)O

InChI

InChI=1S/C12H19NO2S/c1-9-4-5-11(15-3)12(6-9)16-8-10(14)7-13-2/h4-6,10,13-14H,7-8H2,1-3H3/p+1/t10-/m0/s1