5-(2-azanylethyl)naphthalene-2,3-diol; ethanoic acid; hydrochloride

Systemtic Name: 5-(2-azanylethyl)naphthalene-2,3-diol; ethanoic acid; hydrochloride Openeye Name: acetic acid; 5-(2-aminoethyl)naphthalene-2,3-diol; hydrochloride CAS Name: acetic acid; 5-(2-aminoethyl)naphthalene-2,3-diol; hydrochloride IUPAC Name: acetic acid; 5-(2-aminoethyl)naphthalene-2,3-diol; hydrochloride Traditional Name: acetic acid; 5-(2-aminoethyl)naphthalene-2,3-diol; hydrochloride Formula: C16H22ClNO6 MolecularWeight: 359.80198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2.2C2H4O2.ClH/c13-5-4-8-2-1-3-9-6-11(14)12(15)7-10(8)9;2*1-2(3)4;/h1-3,6-7,14-15H,4-5,13H2;2*1H3,(H,3,4);1H