6-(1-azanyl-2-methyl-propan-2-yl)naphthalene-2,3-diol; ethanoic acid; hydrochloride

Systemtic Name: 6-(1-azanyl-2-methyl-propan-2-yl)naphthalene-2,3-diol; ethanoic acid; hydrochloride Openeye Name: acetic acid; 6-(2-amino-1,1-dimethyl-ethyl)naphthalene-2,3-diol; hydrochloride CAS Name: acetic acid; 6-(1-amino-2-methylpropan-2-yl)naphthalene-2,3-diol; hydrochloride IUPAC Name: acetic acid; 6-(1-amino-2-methylpropan-2-yl)naphthalene-2,3-diol; hydrochloride Traditional Name: acetic acid; 6-(2-amino-1,1-dimethyl-ethyl)naphthalene-2,3-diol; hydrochloride Formula: C18H26ClNO6 MolecularWeight: 387.85514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2.2C2H4O2.ClH/c1-14(2,8-15)11-4-3-9-6-12(16)13(17)7-10(9)5-11;2*1-2(3)4;/h3-7,16-17H,8,15H2,1-2H3;2*1H3,(H,3,4);1H