benzoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride

Systemtic Name: benzoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Openeye Name: benzoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride CAS Name: benzoic acid; 1-methyl-7-[2-(1-pyrrolidinyl)ethyl]naphthalene-2,3-diol; hydrochloride IUPAC Name: benzoic acid; 1-methyl-7-(2-pyrrolidin-1-ylethyl)naphthalene-2,3-diol; hydrochloride Traditional Name: benzoic acid; 1-methyl-7-(2-pyrrolidinoethyl)naphthalene-2,3-diol; hydrochloride Formula: C31H34ClNO6 MolecularWeight: 552.05776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=CC(=C1O)O)CCN3CCCC3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CC1=C2C=C(C=CC2=CC(=C1O)O)CCN3CCCC3.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

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