trimethyl-[3-[2-oxidanyl-3-[3-(trimethylazaniumyl)phenoxy]propoxy]phenyl]azanium dibromide

Systemtic Name: trimethyl-[3-[2-oxidanyl-3-[3-(trimethylazaniumyl)phenoxy]propoxy]phenyl]azanium dibromide Openeye Name: [3-[2-hydroxy-3-[3-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethyl-ammonium dibromide CAS Name: [3-[2-hydroxy-3-[3-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethylammonium dibromide IUPAC Name: [3-[2-hydroxy-3-[3-(trimethylazaniumyl)phenoxy]propoxy]phenyl]-trimethylazanium dibromide Traditional Name: [3-[2-hydroxy-3-[3-(trimethylammonio)phenoxy]propoxy]phenyl]-trimethyl-ammonium dibromide Formula: C21H32Br2N2O3 MolecularWeight: 520.29838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=CC=C1)OCC(COC2=CC=CC(=C2)[N+](C)(C)C)O.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=CC=C1)OCC(COC2=CC=CC(=C2)[N+](C)(C)C)O.[Br-].[Br-]

InChI

InChI=1S/C21H32N2O3.2BrH/c1-22(2,3)17-9-7-11-20(13-17)25-15-19(24)16-26-21-12-8-10-18(14-21)23(4,5)6;;/h7-14,19,24H,15-16H2,1-6H3;2*1H/q+2;;/p-2