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

Systemtic Name: 4-nitrobenzoic acid; 1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenyl-piperidin-4-ol; dihydrochloride Openeye Name: 4-nitrobenzoic acid; 1,2,5-trimethyl-5-(morpholinomethyl)-4-phenyl-piperidin-4-ol; dihydrochloride CAS Name: 4-nitrobenzoic acid; 1,2,5-trimethyl-5-(4-morpholinylmethyl)-4-phenyl-4-piperidinol; dihydrochloride IUPAC Name: 4-nitrobenzoic acid; 1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-ol; dihydrochloride Traditional Name: 4-nitrobenzoic acid; 1,2,5-trimethyl-5-(morpholinomethyl)-4-phenyl-piperidin-4-ol; dihydrochloride Formula: C26H37Cl2N3O6 MolecularWeight: 558.49448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)O.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C19H30N2O2.C7H5NO4.2ClH/c1-16-13-19(22,17-7-5-4-6-8-17)18(2,14-20(16)3)15-21-9-11-23-12-10-21;9-7(10)5-1-3-6(4-2-5)8(11)12;;/h4-8,16,22H,9-15H2,1-3H3;1-4H,(H,9,10);2*1H