N'-[2-(3-bromanyl-4,5-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride

Systemtic Name: N'-[2-(3-bromanyl-4,5-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride Openeye Name: N'-[2-(3-bromo-4,5-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride CAS Name: N'-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride IUPAC Name: N'-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride Traditional Name: 2-(3-bromo-4,5-dimethoxy-phenyl)ethyl-[6-(phenethylamino)hexyl]amine dihydrochloride Formula: C24H37BrCl2N2O2 MolecularWeight: 536.37278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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