6-[(2-methylpiperidin-1-yl)methyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride

Systemtic Name: 6-[(2-methylpiperidin-1-yl)methyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 6-[(2-methyl-1-piperidyl)methyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 6-[(2-methyl-1-piperidinyl)methyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 6-[(2-methylpiperidin-1-yl)methyl]naphthalene-2,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: isobutyric acid; 6-[(2-methylpiperidino)methyl]naphthalene-2,3-diol; hydrochloride Formula: C25H38ClNO6 MolecularWeight: 484.02532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC3=CC(=C(C=C3C=C2)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

Isomeric SMILES

CC1CCCCN1CC2=CC3=CC(=C(C=C3C=C2)O)O.CC(C)C(=O)O.CC(C)C(=O)O.Cl

InChI

InChI=1S/C17H21NO2.2C4H8O2.ClH/c1-12-4-2-3-7-18(12)11-13-5-6-14-9-16(19)17(20)10-15(14)8-13;2*1-3(2)4(5)6;/h5-6,8-10,12,19-20H,2-4,7,11H2,1H3;2*3H,1-2H3,(H,5,6);1H