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

Systemtic Name: 4-azanylbenzoic acid; 1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-ol; dihydrochloride Openeye Name: 4-aminobenzoic acid; 1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)piperidin-4-ol; dihydrochloride CAS Name: 4-aminobenzoic acid; 1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinol; dihydrochloride IUPAC Name: 4-aminobenzoic acid; 1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-ol; dihydrochloride Traditional Name: 4-aminobenzoic acid; 1,2,5-trimethyl-4-phenyl-5-(piperidinomethyl)piperidin-4-ol; dihydrochloride Formula: C27H41Cl2N3O3 MolecularWeight: 526.53874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

InChI

InChI=1S/C20H32N2O.C7H7NO2.2ClH/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;8-6-3-1-5(2-4-6)7(9)10;;/h4,6-7,10-11,17,23H,5,8-9,12-16H2,1-3H3;1-4H,8H2,(H,9,10);2*1H