[1-(2,3-dihexadecoxypropyl)-4-phenyl-piperidin-4-yl]methanamine dihydrochloride

Systemtic Name: [1-(2,3-dihexadecoxypropyl)-4-phenyl-piperidin-4-yl]methanamine dihydrochloride Openeye Name: [1-(2,3-dihexadecoxypropyl)-4-phenyl-4-piperidyl]methanamine dihydrochloride CAS Name: [1-(2,3-dihexadecoxypropyl)-4-phenyl-4-piperidinyl]methanamine dihydrochloride IUPAC Name: [1-(2,3-dihexadecoxypropyl)-4-phenylpiperidin-4-yl]methanamine dihydrochloride Traditional Name: [1-(2,3-dicetyloxypropyl)-4-phenyl-4-piperidyl]methylamine dihydrochloride Formula: C47H90Cl2N2O2 MolecularWeight: 786.1357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN1CCC(CC1)(CN)C2=CC=CC=C2)OCCCCCCCCCCCCCCCC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN1CCC(CC1)(CN)C2=CC=CC=C2)OCCCCCCCCCCCCCCCC.Cl.Cl

InChI

InChI=1S/C47H88N2O2.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-40-50-43-46(42-49-38-36-47(44-48,37-39-49)45-34-30-29-31-35-45)51-41-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h29-31,34-35,46H,3-28,32-33,36-44,48H2,1-2H3;2*1H