N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihexadecoxy-propan-1-amine dihydrochloride

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihexadecoxy-propan-1-amine dihydrochloride Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihexadecoxy-propan-1-amine dihydrochloride CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihexadecoxy-1-propanamine dihydrochloride IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihexadecoxypropan-1-amine dihydrochloride Traditional Name: [3-(aminomethyl)benzyl]-(2,3-dicetyloxypropyl)amine dihydrochloride Formula: C43H84Cl2N2O2 MolecularWeight: 732.04526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNCC1=CC=CC(=C1)CN)OCCCCCCCCCCCCCCCC.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNCC1=CC=CC(=C1)CN)OCCCCCCCCCCCCCCCC.Cl.Cl

InChI

InChI=1S/C43H82N2O2.2ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-46-40-43(39-45-38-42-33-31-32-41(36-42)37-44)47-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-33,36,43,45H,3-30,34-35,37-40,44H2,1-2H3;2*1H