[1-(4-carboxyphenyl)-3-sulfanyl-propan-2-yl]azanium

Systemtic Name: [1-(4-carboxyphenyl)-3-sulfanyl-propan-2-yl]azanium Openeye Name: [1-[(4-carboxyphenyl)methyl]-2-sulfanyl-ethyl]ammonium CAS Name: [1-(4-carboxyphenyl)-3-mercaptopropan-2-yl]ammonium IUPAC Name: [1-(4-carboxyphenyl)-3-sulfanylpropan-2-yl]azanium Traditional Name: [1-(4-carboxybenzyl)-2-mercapto-ethyl]ammonium Formula: C10H14NO2S+ MolecularWeight: 212.28866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CS)[NH3+])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CS)[NH3+])C(=O)O

InChI

InChI=1S/C10H13NO2S/c11-9(6-14)5-7-1-3-8(4-2-7)10(12)13/h1-4,9,14H,5-6,11H2,(H,12,13)/p+1