2-methylpropanoic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride

Systemtic Name: 2-methylpropanoic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Openeye Name: 2-methylpropanoic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride CAS Name: 2-methylpropanoic acid; 6-[2-(1-pyrrolidinyl)ethyl]naphthalene-2,3-diol; hydrochloride IUPAC Name: 2-methylpropanoic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Traditional Name: isobutyric acid; 6-(2-pyrrolidinoethyl)naphthalene-2,3-diol; hydrochloride Formula: C24H36ClNO6 MolecularWeight: 469.99874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)C(=O)O.C1CCN(C1)CCC2=CC3=CC(=C(C=C3C=C2)O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)C(=O)O.C1CCN(C1)CCC2=CC3=CC(=C(C=C3C=C2)O)O.Cl

InChI

InChI=1S/C16H19NO2.2C4H8O2.ClH/c18-15-10-13-4-3-12(9-14(13)11-16(15)19)5-8-17-6-1-2-7-17;2*1-3(2)4(5)6;/h3-4,9-11,18-19H,1-2,5-8H2;2*3H,1-2H3,(H,5,6);1H