2-(3-chloranyl-4-methyl-phenyl)-1-(quinolin-4-ylamino)propane-1,2-diol hydrochloride

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-1-(quinolin-4-ylamino)propane-1,2-diol hydrochloride Openeye Name: 2-(3-chloro-4-methyl-phenyl)-1-(4-quinolylamino)propane-1,2-diol hydrochloride CAS Name: 2-(3-chloro-4-methylphenyl)-1-(4-quinolinylamino)propane-1,2-diol hydrochloride IUPAC Name: 2-(3-chloro-4-methylphenyl)-1-(quinolin-4-ylamino)propane-1,2-diol hydrochloride Traditional Name: 2-(3-chloro-4-methyl-phenyl)-1-(4-quinolylamino)propane-1,2-diol hydrochloride Formula: C19H20Cl2N2O2 MolecularWeight: 379.2803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C(NC2=CC=NC3=CC=CC=C32)O)O)Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C(NC2=CC=NC3=CC=CC=C32)O)O)Cl.Cl

InChI

InChI=1S/C19H19ClN2O2.ClH/c1-12-7-8-13(11-15(12)20)19(2,24)18(23)22-17-9-10-21-16-6-4-3-5-14(16)17;/h3-11,18,23-24H,1-2H3,(H,21,22);1H