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

Systemtic Name: N'-[2-(2-butyl-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride Openeye Name: N'-[2-(2-butyl-3,4-dimethoxy-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride CAS Name: N'-[2-(2-butyl-3,4-dimethoxyphenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride IUPAC Name: N'-[2-(2-butyl-3,4-dimethoxyphenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride Traditional Name: 2-(2-butyl-3,4-dimethoxy-phenyl)ethyl-[6-(phenethylamino)hexyl]amine dihydrochloride Formula: C28H46Cl2N2O2 MolecularWeight: 513.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1OC)OC)CCNCCCCCCNCCC2=CC=CC=C2.Cl.Cl

Isomeric SMILES

CCCCC1=C(C=CC(=C1OC)OC)CCNCCCCCCNCCC2=CC=CC=C2.Cl.Cl

InChI

InChI=1S/C28H44N2O2.2ClH/c1-4-5-15-26-25(16-17-27(31-2)28(26)32-3)19-23-30-21-12-7-6-11-20-29-22-18-24-13-9-8-10-14-24;;/h8-10,13-14,16-17,29-30H,4-7,11-12,15,18-23H2,1-3H3;2*1H