benzoic acid; 5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride

Systemtic Name: benzoic acid; 5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride Openeye Name: benzoic acid; 5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride CAS Name: benzoic acid; 5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinol; dihydrochloride IUPAC Name: benzoic acid; 5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-ol; dihydrochloride Traditional Name: benzoic acid; 5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride Formula: C26H40Cl2N2O3 MolecularWeight: 499.5134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)O)C)C)C.C1=CC=C(C=C1)C(=O)O.Cl.Cl

Isomeric SMILES

CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)O)C)C)C.C1=CC=C(C=C1)C(=O)O.Cl.Cl

InChI

InChI=1S/C19H32N2O.C7H6O2.2ClH/c1-6-21(7-2)15-18(4)14-20(5)16(3)13-19(18,22)17-11-9-8-10-12-17;8-7(9)6-4-2-1-3-5-6;;/h8-12,16,22H,6-7,13-15H2,1-5H3;1-5H,(H,8,9);2*1H