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

Systemtic Name: decyl-dimethyl-[3-(2-oxidanyl-2-adamantyl)propyl]azanium bromide Openeye Name: decyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethyl-ammonium bromide CAS Name: decyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethylammonium bromide IUPAC Name: decyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethylazanium bromide Traditional Name: decyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethyl-ammonium bromide Formula: C25H48BrNO MolecularWeight: 458.55872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48NO.BrH/c1-4-5-6-7-8-9-10-11-14-26(2,3)15-12-13-25(27)23-17-21-16-22(19-23)20-24(25)18-21;/h21-24,27H,4-20H2,1-3H3;1H/q+1;/p-1