benzoic acid; 2-methyl-2-(propan-2-ylamino)propan-1-ol; hydrochloride

Systemtic Name: benzoic acid; 2-methyl-2-(propan-2-ylamino)propan-1-ol; hydrochloride Openeye Name: benzoic acid; 2-(isopropylamino)-2-methyl-propan-1-ol; hydrochloride CAS Name: benzoic acid; 2-methyl-2-(propan-2-ylamino)-1-propanol; hydrochloride IUPAC Name: benzoic acid; 2-methyl-2-(propan-2-ylamino)propan-1-ol; hydrochloride Traditional Name: benzoic acid; 2-(isopropylamino)-2-methyl-propan-1-ol; hydrochloride Formula: C14H24ClNO3 MolecularWeight: 289.79826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)(C)CO.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CC(C)NC(C)(C)CO.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C7H17NO.C7H6O2.ClH/c1-6(2)8-7(3,4)5-9;8-7(9)6-4-2-1-3-5-6;/h6,8-9H,5H2,1-4H3;1-5H,(H,8,9);1H