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

Systemtic Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] benzoate dihydrochloride Openeye Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] benzoate dihydrochloride CAS Name: benzoic 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] benzoate dihydrochloride Traditional Name: benzoic acid [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C30H46Cl2N2O2 MolecularWeight: 537.60444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)C)C.Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)C)C.Cl.Cl

InChI

InChI=1S/C30H44N2O2.2ClH/c1-6-8-20-32(21-9-7-2)24-29(4)23-31(5)25(3)22-30(29,27-18-14-11-15-19-27)34-28(33)26-16-12-10-13-17-26;;/h10-19,25H,6-9,20-24H2,1-5H3;2*1H