[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenyl-piperidin-4-yl] 4-nitrobenzoate dihydrochloride

Systemtic Name: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenyl-piperidin-4-yl] 4-nitrobenzoate dihydrochloride Openeye Name: [1,2,5-trimethyl-5-(morpholinomethyl)-4-phenyl-4-piperidyl] 4-nitrobenzoate dihydrochloride CAS Name: 4-nitrobenzoic acid [1,2,5-trimethyl-5-(4-morpholinylmethyl)-4-phenyl-4-piperidinyl] ester dihydrochloride IUPAC Name: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride Traditional Name: 4-nitrobenzoic acid [1,2,5-trimethyl-5-(morpholinomethyl)-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C26H35Cl2N3O5 MolecularWeight: 540.4792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C26H33N3O5.2ClH/c1-20-17-26(22-7-5-4-6-8-22,34-24(30)21-9-11-23(12-10-21)29(31)32)25(2,18-27(20)3)19-28-13-15-33-16-14-28;;/h4-12,20H,13-19H2,1-3H3;2*1H