decyl-[3-(2-methanoyloxy-2-adamantyl)propyl]-dimethyl-azanium bromide

Systemtic Name: decyl-[3-(2-methanoyloxy-2-adamantyl)propyl]-dimethyl-azanium bromide Openeye Name: decyl-[3-(2-formyloxy-2-adamantyl)propyl]-dimethyl-ammonium bromide CAS Name: decyl-[3-(2-formyloxy-2-adamantyl)propyl]-dimethylammonium bromide IUPAC Name: decyl-[3-(2-formyloxy-2-adamantyl)propyl]-dimethylazanium bromide Traditional Name: decyl-[3-(2-formyloxy-2-adamantyl)propyl]-dimethyl-ammonium bromide Formula: C26H48BrNO2 MolecularWeight: 486.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCCC1(C2CC3CC(C2)CC1C3)OC=O.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCCC1(C2CC3CC(C2)CC1C3)OC=O.[Br-]

InChI

InChI=1S/C26H48NO2.BrH/c1-4-5-6-7-8-9-10-11-14-27(2,3)15-12-13-26(29-21-28)24-17-22-16-23(19-24)20-25(26)18-22;/h21-25H,4-20H2,1-3H3;1H/q+1;/p-1