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

Systemtic Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-nitrobenzoate dihydrochloride Openeye Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-nitrobenzoate dihydrochloride CAS Name: 4-nitrobenzoic acid [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride IUPAC Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride Traditional Name: 4-nitrobenzoic acid [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C30H45Cl2N3O4 MolecularWeight: 582.602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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

CCCCN(CCCC)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/C30H43N3O4.2ClH/c1-6-8-19-32(20-9-7-2)23-29(4)22-31(5)24(3)21-30(29,26-13-11-10-12-14-26)37-28(34)25-15-17-27(18-16-25)33(35)36;;/h10-18,24H,6-9,19-23H2,1-5H3;2*1H