6-(dimethylaminomethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride

Systemtic Name: 6-(dimethylaminomethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 6-(dimethylaminomethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 6-(dimethylaminomethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 6-(dimethylaminomethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 6-(dimethylaminomethyl)naphthalene-2,3-diol; isobutyric acid; hydrochloride Formula: C21H32ClNO6 MolecularWeight: 429.93488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)C(=O)O.CN(C)CC1=CC2=CC(=C(C=C2C=C1)O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)C(=O)O.CN(C)CC1=CC2=CC(=C(C=C2C=C1)O)O.Cl

InChI

InChI=1S/C13H15NO2.2C4H8O2.ClH/c1-14(2)8-9-3-4-10-6-12(15)13(16)7-11(10)5-9;2*1-3(2)4(5)6;/h3-7,15-16H,8H2,1-2H3;2*3H,1-2H3,(H,5,6);1H