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

Systemtic Name: N'-[2-(3,4-dimethoxy-5-nitro-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride Openeye Name: N'-[2-(3,4-dimethoxy-5-nitro-phenyl)ethyl]-N-phenethyl-hexane-1,6-diamine dihydrochloride CAS Name: N'-[2-(3,4-dimethoxy-5-nitrophenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride IUPAC Name: N'-[2-(3,4-dimethoxy-5-nitrophenyl)ethyl]-N-phenethylhexane-1,6-diamine dihydrochloride Traditional Name: 2-(3,4-dimethoxy-5-nitro-phenyl)ethyl-[6-(phenethylamino)hexyl]amine dihydrochloride Formula: C24H37Cl2N3O4 MolecularWeight: 502.47428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)[N+](=O)[O-])CCNCCCCCCNCCC2=CC=CC=C2.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)[N+](=O)[O-])CCNCCCCCCNCCC2=CC=CC=C2.Cl.Cl

InChI

InChI=1S/C24H35N3O4.2ClH/c1-30-23-19-21(18-22(27(28)29)24(23)31-2)13-17-26-15-9-4-3-8-14-25-16-12-20-10-6-5-7-11-20;;/h5-7,10-11,18-19,25-26H,3-4,8-9,12-17H2,1-2H3;2*1H