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

Systemtic Name: [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-nitrobenzoate dihydrochloride Openeye Name: [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-nitrobenzoate dihydrochloride CAS Name: 4-nitrobenzoic acid [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride IUPAC Name: [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride Traditional Name: 4-nitrobenzoic acid [5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C28H41Cl2N3O4 MolecularWeight: 554.54884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C)C.Cl.Cl

Isomeric SMILES

CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C)C.Cl.Cl

InChI

InChI=1S/C28H39N3O4.2ClH/c1-6-17-30(18-7-2)21-27(4)20-29(5)22(3)19-28(27,24-11-9-8-10-12-24)35-26(32)23-13-15-25(16-14-23)31(33)34;;/h8-16,22H,6-7,17-21H2,1-5H3;2*1H