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

Systemtic Name: 6-(2-azanylethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 6-(2-aminoethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 6-(2-aminoethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 6-(2-aminoethyl)naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 6-(2-aminoethyl)naphthalene-2,3-diol; isobutyric acid; hydrochloride Formula: C20H30ClNO6 MolecularWeight: 415.9083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)C(=O)O.C1=CC2=CC(=C(C=C2C=C1CCN)O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)C(=O)O.C1=CC2=CC(=C(C=C2C=C1CCN)O)O.Cl

InChI

InChI=1S/C12H13NO2.2C4H8O2.ClH/c13-4-3-8-1-2-9-6-11(14)12(15)7-10(9)5-8;2*1-3(2)4(5)6;/h1-2,5-7,14-15H,3-4,13H2;2*3H,1-2H3,(H,5,6);1H