benzoic acid; 2-(dimethylaminomethyl)-1-methyl-cyclohexan-1-ol; hydrochloride

Systemtic Name: benzoic acid; 2-(dimethylaminomethyl)-1-methyl-cyclohexan-1-ol; hydrochloride Openeye Name: benzoic acid; 2-(dimethylaminomethyl)-1-methyl-cyclohexanol; hydrochloride CAS Name: benzoic acid; 2-(dimethylaminomethyl)-1-methyl-1-cyclohexanol; hydrochloride IUPAC Name: benzoic acid; 2-(dimethylaminomethyl)-1-methylcyclohexan-1-ol; hydrochloride Traditional Name: benzoic acid; 2-(dimethylaminomethyl)-1-methyl-cyclohexanol; hydrochloride Formula: C17H28ClNO3 MolecularWeight: 329.86212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1CN(C)C)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CC1(CCCCC1CN(C)C)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C10H21NO.C7H6O2.ClH/c1-10(12)7-5-4-6-9(10)8-11(2)3;8-7(9)6-4-2-1-3-5-6;/h9,12H,4-8H2,1-3H3;1-5H,(H,8,9);1H