6-[2-(ethylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride

Systemtic Name: 6-[2-(ethylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 6-[2-(ethylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 6-[2-(ethylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 6-[2-(ethylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 6-[2-(ethylamino)ethyl]naphthalene-2,3-diol; isobutyric acid; hydrochloride Formula: C22H34ClNO6 MolecularWeight: 443.96146

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC1=CC2=CC(=C(C=C2C=C1)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

Isomeric SMILES

CCNCCC1=CC2=CC(=C(C=C2C=C1)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

InChI

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