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

Systemtic Name: [3-(2-adamantyl)-3-oxidanylidene-propyl]-decyl-dimethyl-azanium bromide Openeye Name: [3-(2-adamantyl)-3-oxo-propyl]-decyl-dimethyl-ammonium bromide CAS Name: [3-(2-adamantyl)-3-oxopropyl]-decyl-dimethylammonium bromide IUPAC Name: [3-(2-adamantyl)-3-oxopropyl]-decyl-dimethylazanium bromide Traditional Name: [3-(2-adamantyl)-3-keto-propyl]-decyl-dimethyl-ammonium bromide Formula: C25H46BrNO MolecularWeight: 456.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCC(=O)C1C2CC3CC(C2)CC1C3.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCC(=O)C1C2CC3CC(C2)CC1C3.[Br-]

InChI

InChI=1S/C25H46NO.BrH/c1-4-5-6-7-8-9-10-11-13-26(2,3)14-12-24(27)25-22-16-20-15-21(18-22)19-23(25)17-20;/h20-23,25H,4-19H2,1-3H3;1H/q+1;/p-1