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

Systemtic Name: 6-[2-(butylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 6-[2-(butylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 6-[2-(butylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 6-[2-(butylamino)ethyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 6-[2-(butylamino)ethyl]naphthalene-2,3-diol; isobutyric acid; hydrochloride Formula: C24H38ClNO6 MolecularWeight: 472.01462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCC1=CC2=CC(=C(C=C2C=C1)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

Isomeric SMILES

CCCCNCCC1=CC2=CC(=C(C=C2C=C1)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

InChI

InChI=1S/C16H21NO2.2C4H8O2.ClH/c1-2-3-7-17-8-6-12-4-5-13-10-15(18)16(19)11-14(13)9-12;2*1-3(2)4(5)6;/h4-5,9-11,17-19H,2-3,6-8H2,1H3;2*3H,1-2H3,(H,5,6);1H