[(1R,2R)-2,3-bis(oxidanyl)-1-pyridin-2-yl-propyl] 4-methylbenzoate hydrochloride

Systemtic Name: [(1R,2R)-2,3-bis(oxidanyl)-1-pyridin-2-yl-propyl] 4-methylbenzoate hydrochloride Openeye Name: [(1R,2R)-2,3-dihydroxy-1-(2-pyridyl)propyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [(1R,2R)-2,3-dihydroxy-1-(2-pyridinyl)propyl] ester hydrochloride IUPAC Name: [(1R,2R)-2,3-dihydroxy-1-pyridin-2-ylpropyl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [(1R,2R)-2,3-dihydroxy-1-(2-pyridyl)propyl] ester hydrochloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=N2)C(CO)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C2=CC=CC=N2)[C@@H](CO)O.Cl

InChI

InChI=1S/C16H17NO4.ClH/c1-11-5-7-12(8-6-11)16(20)21-15(14(19)10-18)13-4-2-3-9-17-13;/h2-9,14-15,18-19H,10H2,1H3;1H/t14-,15-;/m1./s1