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

Systemtic Name: ethanoic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Openeye Name: acetic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride CAS Name: acetic acid; 6-[2-(1-pyrrolidinyl)ethyl]naphthalene-2,3-diol; hydrochloride IUPAC Name: acetic acid; 6-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Traditional Name: acetic acid; 6-(2-pyrrolidinoethyl)naphthalene-2,3-diol; hydrochloride Formula: C20H28ClNO6 MolecularWeight: 413.89242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2.2C2H4O2.ClH/c18-15-10-13-4-3-12(9-14(13)11-16(15)19)5-8-17-6-1-2-7-17;2*1-2(3)4;/h3-4,9-11,18-19H,1-2,5-8H2;2*1H3,(H,3,4);1H