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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)(C)NCCC1=CC2=CC(=C(C=C2C=C1)O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)(C)NCCC1=CC2=CC(=C(C=C2C=C1)O)O.Cl

InChI

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