N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]heptane-1,7-diamine dihydrobromide

Systemtic Name: N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]heptane-1,7-diamine dihydrobromide Openeye Name: N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]heptane-1,7-diamine dihydrobromide CAS Name: N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]heptane-1,7-diamine dihydrobromide IUPAC Name: N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]heptane-1,7-diamine dihydrobromide Traditional Name: homoveratryl-[7-(homoveratrylamino)heptyl]amine dihydrobromide Formula: C27H44Br2N2O4 MolecularWeight: 620.45726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCCCCCNCCC2=CC(=C(C=C2)OC)OC)OC.Br.Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCCCCCNCCC2=CC(=C(C=C2)OC)OC)OC.Br.Br

InChI

InChI=1S/C27H42N2O4.2BrH/c1-30-24-12-10-22(20-26(24)32-3)14-18-28-16-8-6-5-7-9-17-29-19-15-23-11-13-25(31-2)27(21-23)33-4;;/h10-13,20-21,28-29H,5-9,14-19H2,1-4H3;2*1H