2-[(4-methylphenyl)methylamino]-3-sulfanyl-propanoic acid hydrochloride

Systemtic Name: 2-[(4-methylphenyl)methylamino]-3-sulfanyl-propanoic acid hydrochloride Openeye Name: 2-(p-tolylmethylamino)-3-sulfanyl-propanoic acid hydrochloride CAS Name: 3-mercapto-2-[(4-methylphenyl)methylamino]propanoic acid hydrochloride IUPAC Name: 2-[(4-methylphenyl)methylamino]-3-sulfanylpropanoic acid hydrochloride Traditional Name: 3-mercapto-2-[(4-methylbenzyl)amino]propionic acid hydrochloride Formula: C11H16ClNO2S MolecularWeight: 261.76824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(CS)C(=O)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(CS)C(=O)O.Cl

InChI

InChI=1S/C11H15NO2S.ClH/c1-8-2-4-9(5-3-8)6-12-10(7-15)11(13)14;/h2-5,10,12,15H,6-7H2,1H3,(H,13,14);1H