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

Systemtic Name: dodecyl-dimethyl-[3-(2-oxidanyl-2-adamantyl)propyl]azanium bromide Openeye Name: dodecyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethyl-ammonium bromide CAS Name: dodecyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethylammonium bromide IUPAC Name: dodecyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethylazanium bromide Traditional Name: 3-(2-hydroxy-2-adamantyl)propyl-lauryl-dimethyl-ammonium bromide Formula: C27H52BrNO MolecularWeight: 486.61188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-16-28(2,3)17-14-15-27(29)25-19-23-18-24(21-25)22-26(27)20-23;/h23-26,29H,4-22H2,1-3H3;1H/q+1;/p-1