8-(1-azanylpropan-2-yl)-1-methyl-naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride

Systemtic Name: 8-(1-azanylpropan-2-yl)-1-methyl-naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 8-(2-amino-1-methyl-ethyl)-1-methyl-naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 8-(1-aminopropan-2-yl)-1-methylnaphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 8-(1-aminopropan-2-yl)-1-methylnaphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 8-(2-amino-1-methyl-ethyl)-1-methyl-naphthalene-2,3-diol; isobutyric acid; hydrochloride Formula: C22H34ClNO6 MolecularWeight: 443.96146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)O)C=CC=C2C(C)CN.CC(C)C(=O)O.CC(C)C(=O)O.Cl

Isomeric SMILES

CC1=C2C(=CC(=C1O)O)C=CC=C2C(C)CN.CC(C)C(=O)O.CC(C)C(=O)O.Cl

InChI

InChI=1S/C14H17NO2.2C4H8O2.ClH/c1-8(7-15)11-5-3-4-10-6-12(16)14(17)9(2)13(10)11;2*1-3(2)4(5)6;/h3-6,8,16-17H,7,15H2,1-2H3;2*3H,1-2H3,(H,5,6);1H