[4-(1-adamantyl)-7-[ethyl(dimethyl)azaniumyl]-4-oxidanyl-heptyl]-ethyl-dimethyl-azanium dibromide

Systemtic Name: [4-(1-adamantyl)-7-[ethyl(dimethyl)azaniumyl]-4-oxidanyl-heptyl]-ethyl-dimethyl-azanium dibromide Openeye Name: [4-(1-adamantyl)-7-[ethyl(dimethyl)ammonio]-4-hydroxy-heptyl]-ethyl-dimethyl-ammonium dibromide CAS Name: [4-(1-adamantyl)-7-[ethyl(dimethyl)ammonio]-4-hydroxyheptyl]-ethyl-dimethylammonium dibromide IUPAC Name: [4-(1-adamantyl)-7-[ethyl(dimethyl)azaniumyl]-4-hydroxyheptyl]-ethyl-dimethylazanium dibromide Traditional Name: [4-(1-adamantyl)-7-[ethyl(dimethyl)ammonio]-4-hydroxy-heptyl]-ethyl-dimethyl-ammonium dibromide Formula: C25H50Br2N2O MolecularWeight: 554.4853

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCCC(CCC[N+](C)(C)CC)(C12CC3CC(C1)CC(C3)C2)O.[Br-].[Br-]

Isomeric SMILES

CC[N+](C)(C)CCCC(CCC[N+](C)(C)CC)(C12CC3CC(C1)CC(C3)C2)O.[Br-].[Br-]

InChI

InChI=1S/C25H50N2O.2BrH/c1-7-26(3,4)13-9-11-25(28,12-10-14-27(5,6)8-2)24-18-21-15-22(19-24)17-23(16-21)20-24;;/h21-23,28H,7-20H2,1-6H3;2*1H/q+2;;/p-2