5-[1-(ethylamino)-2-methyl-propan-2-yl]naphthalene-2,3-diol; propanoic acid; hydrochloride

Systemtic Name: 5-[1-(ethylamino)-2-methyl-propan-2-yl]naphthalene-2,3-diol; propanoic acid; hydrochloride Openeye Name: 5-[2-(ethylamino)-1,1-dimethyl-ethyl]naphthalene-2,3-diol; propionic acid; hydrochloride CAS Name: 5-[1-(ethylamino)-2-methylpropan-2-yl]naphthalene-2,3-diol; propanoic acid; hydrochloride IUPAC Name: 5-[1-(ethylamino)-2-methylpropan-2-yl]naphthalene-2,3-diol; propanoic acid; hydrochloride Traditional Name: 5-[2-(ethylamino)-1,1-dimethyl-ethyl]naphthalene-2,3-diol; propionic acid; hydrochloride Formula: C22H34ClNO6 MolecularWeight: 443.96146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CCC(=O)O.CCNCC(C)(C)C1=CC=CC2=CC(=C(C=C21)O)O.Cl

Isomeric SMILES

CCC(=O)O.CCC(=O)O.CCNCC(C)(C)C1=CC=CC2=CC(=C(C=C21)O)O.Cl

InChI

InChI=1S/C16H21NO2.2C3H6O2.ClH/c1-4-17-10-16(2,3)13-7-5-6-11-8-14(18)15(19)9-12(11)13;2*1-2-3(4)5;/h5-9,17-19H,4,10H2,1-3H3;2*2H2,1H3,(H,4,5);1H