[(2S)-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-2-hydroxy-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)sulfonylpropyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methoxy-4,5-dimethylphenyl)sulfonylpropyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-methoxy-4,5-dimethyl-phenyl)sulfonyl-propyl]-methyl-ammonium Formula: C13H22NO4S+ MolecularWeight: 288.38308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)CC(C[NH2+]C)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)C[C@H](C[NH2+]C)O)OC

InChI

InChI=1S/C13H21NO4S/c1-9-5-12(18-4)13(6-10(9)2)19(16,17)8-11(15)7-14-3/h5-6,11,14-15H,7-8H2,1-4H3/p+1/t11-/m0/s1