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

Systemtic Name: butyl-dimethyl-[3-(2-oxidanyl-2-adamantyl)propyl]azanium bromide Openeye Name: butyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethyl-ammonium bromide CAS Name: butyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethylammonium bromide IUPAC Name: butyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethylazanium bromide Traditional Name: butyl-[3-(2-hydroxy-2-adamantyl)propyl]-dimethyl-ammonium bromide Formula: C19H36BrNO MolecularWeight: 374.39924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36NO.BrH/c1-4-5-8-20(2,3)9-6-7-19(21)17-11-15-10-16(13-17)14-18(19)12-15;/h15-18,21H,4-14H2,1-3H3;1H/q+1;/p-1