benzoic acid; 5-(1-pyrrolidin-1-ylpropan-2-yl)naphthalene-2,3-diol; hydrochloride

Systemtic Name: benzoic acid; 5-(1-pyrrolidin-1-ylpropan-2-yl)naphthalene-2,3-diol; hydrochloride Openeye Name: benzoic acid; 5-(1-methyl-2-pyrrolidin-1-yl-ethyl)naphthalene-2,3-diol; hydrochloride CAS Name: benzoic acid; 5-[1-(1-pyrrolidinyl)propan-2-yl]naphthalene-2,3-diol; hydrochloride IUPAC Name: benzoic acid; 5-(1-pyrrolidin-1-ylpropan-2-yl)naphthalene-2,3-diol; hydrochloride Traditional Name: benzoic acid; 5-(1-methyl-2-pyrrolidino-ethyl)naphthalene-2,3-diol; hydrochloride Formula: C31H34ClNO6 MolecularWeight: 552.05776

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1)C2=CC=CC3=CC(=C(C=C32)O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CC(CN1CCCC1)C2=CC=CC3=CC(=C(C=C32)O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C17H21NO2.2C7H6O2.ClH/c1-12(11-18-7-2-3-8-18)14-6-4-5-13-9-16(19)17(20)10-15(13)14;2*8-7(9)6-4-2-1-3-5-6;/h4-6,9-10,12,19-20H,2-3,7-8,11H2,1H3;2*1-5H,(H,8,9);1H