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

Systemtic Name: 4-azanylbenzoic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride Openeye Name: 4-aminobenzoic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride CAS Name: 4-aminobenzoic acid; 5-(2-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinol; dihydrochloride IUPAC Name: 4-aminobenzoic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-ol; dihydrochloride Traditional Name: 4-aminobenzoic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride Formula: C28H43Cl2N3O3 MolecularWeight: 540.56532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CC2CCCCCN2)(C3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CC2CCCCCN2)(C3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

InChI

InChI=1S/C21H34N2O.C7H7NO2.2ClH/c1-17-14-21(24,18-10-6-4-7-11-18)20(2,16-23(17)3)15-19-12-8-5-9-13-22-19;8-6-3-1-5(2-4-6)7(9)10;;/h4,6-7,10-11,17,19,22,24H,5,8-9,12-16H2,1-3H3;1-4H,8H2,(H,9,10);2*1H