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

Systemtic Name: benzoic acid; 1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-ol; dihydrochloride Openeye Name: benzoic acid; 1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)piperidin-4-ol; dihydrochloride CAS Name: benzoic acid; 1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinol; dihydrochloride IUPAC Name: benzoic acid; 1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-ol; dihydrochloride Traditional Name: benzoic acid; 1,2,5-trimethyl-4-phenyl-5-(piperidinomethyl)piperidin-4-ol; dihydrochloride Formula: C27H40Cl2N2O3 MolecularWeight: 511.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O.Cl.Cl

InChI

InChI=1S/C20H32N2O.C7H6O2.2ClH/c1-17-14-20(23,18-10-6-4-7-11-18)19(2,15-21(17)3)16-22-12-8-5-9-13-22;8-7(9)6-4-2-1-3-5-6;;/h4,6-7,10-11,17,23H,5,8-9,12-16H2,1-3H3;1-5H,(H,8,9);2*1H