6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]hexyl-dimethyl-phenethyl-azanium dihydrobromide

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]hexyl-dimethyl-phenethyl-azanium dihydrobromide Openeye Name: 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl-dimethyl-phenethyl-ammonium dihydrobromide CAS Name: 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl-dimethyl-phenethylammonium dihydrobromide IUPAC Name: 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl-dimethyl-phenethylazanium dihydrobromide Traditional Name: 6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl-dimethyl-phenethyl-ammonium dihydrobromide Formula: C24H39Br2N2O2+ MolecularWeight: 547.38666

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCNCCC1=CC(=C(C=C1)O)O)CCC2=CC=CC=C2.Br.Br

Isomeric SMILES

C[N+](C)(CCCCCCNCCC1=CC(=C(C=C1)O)O)CCC2=CC=CC=C2.Br.Br

InChI

InChI=1S/C24H36N2O2.2BrH/c1-26(2,19-15-21-10-6-5-7-11-21)18-9-4-3-8-16-25-17-14-22-12-13-23(27)24(28)20-22;;/h5-7,10-13,20,25H,3-4,8-9,14-19H2,1-2H3,(H-,27,28);2*1H/p+1