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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=CC2=CC(=C(C(=C21)C)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

Isomeric SMILES

CCNCC1=CC=CC2=CC(=C(C(=C21)C)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

InChI

InChI=1S/C14H17NO2.2C4H8O2.ClH/c1-3-15-8-11-6-4-5-10-7-12(16)14(17)9(2)13(10)11;2*1-3(2)4(5)6;/h4-7,15-17H,3,8H2,1-2H3;2*3H,1-2H3,(H,5,6);1H