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

Systemtic Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] 4-nitrobenzoate dihydrochloride Openeye Name: [1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)-4-piperidyl] 4-nitrobenzoate dihydrochloride CAS Name: 4-nitrobenzoic acid [1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinyl] ester dihydrochloride IUPAC Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] 4-nitrobenzoate dihydrochloride Traditional Name: 4-nitrobenzoic acid [1,2,5-trimethyl-4-phenyl-5-(piperidinomethyl)-4-piperidyl] ester dihydrochloride Formula: C27H37Cl2N3O4 MolecularWeight: 538.50638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C27H35N3O4.2ClH/c1-21-18-27(23-10-6-4-7-11-23,34-25(31)22-12-14-24(15-13-22)30(32)33)26(2,19-28(21)3)20-29-16-8-5-9-17-29;;/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3;2*1H