N'-[2-(2-bromanyl-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride

Systemtic Name: N'-[2-(2-bromanyl-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride Openeye Name: N'-[2-(2-bromo-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride CAS Name: N'-[2-(2-bromo-3,4-dimethoxyphenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride IUPAC Name: N'-[2-(2-bromo-3,4-dimethoxyphenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride Traditional Name: 2-(2-bromo-3,4-dimethoxy-phenyl)ethyl-[6-(phenethylamino)hexyl]amine dihydrochloride Formula: C24H37BrCl2N2O2 MolecularWeight: 536.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCNCCCCCCNCCC2=CC=CC=C2)Br)OC.Cl.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CCNCCCCCCNCCC2=CC=CC=C2)Br)OC.Cl.Cl

InChI

InChI=1S/C24H35BrN2O2.2ClH/c1-28-22-13-12-21(23(25)24(22)29-2)15-19-27-17-9-4-3-8-16-26-18-14-20-10-6-5-7-11-20;;/h5-7,10-13,26-27H,3-4,8-9,14-19H2,1-2H3;2*1H