[1-(3-carboxyphenyl)-2-sulfanyl-ethyl]azanium

Systemtic Name: [1-(3-carboxyphenyl)-2-sulfanyl-ethyl]azanium Openeye Name: [1-(3-carboxyphenyl)-2-sulfanyl-ethyl]ammonium CAS Name: [1-(3-carboxyphenyl)-2-mercaptoethyl]ammonium IUPAC Name: [1-(3-carboxyphenyl)-2-sulfanylethyl]azanium Traditional Name: [1-(3-carboxyphenyl)-2-mercapto-ethyl]ammonium Formula: C9H12NO2S+ MolecularWeight: 198.26208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CS)[NH3+])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(CS)[NH3+])C(=O)O

InChI

InChI=1S/C9H11NO2S/c10-8(5-13)6-2-1-3-7(4-6)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)/p+1