5-(2-azanylethyl)-1H-naphthalene-1,5-diol; 2-methylpropanoic acid; hydrochloride

Systemtic Name: 5-(2-azanylethyl)-1H-naphthalene-1,5-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 5-(2-aminoethyl)-1H-naphthalene-1,5-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 5-(2-aminoethyl)-1H-naphthalene-1,5-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 5-(2-aminoethyl)-1H-naphthalene-1,5-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 5-(2-aminoethyl)-1H-naphthalene-1,5-diol; isobutyric acid; hydrochloride Formula: C20H32ClNO6 MolecularWeight: 417.92418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)C(=O)O.C1=CC(C2=CC=CC(C2=C1)(CCN)O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)C(=O)O.C1=CC(C2=CC=CC(C2=C1)(CCN)O)O.Cl

InChI

InChI=1S/C12H15NO2.2C4H8O2.ClH/c13-8-7-12(15)6-2-3-9-10(12)4-1-5-11(9)14;2*1-3(2)4(5)6;/h1-6,11,14-15H,7-8,13H2;2*3H,1-2H3,(H,5,6);1H