[3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2-methyl-tridecan-2-yl]azanium bromide

Systemtic Name: [3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2-methyl-tridecan-2-yl]azanium bromide Openeye Name: [2-[2-(1-adamantyl)-2-oxo-ethyl]-1,1-dimethyl-dodecyl]ammonium bromide CAS Name: [3-[2-(1-adamantyl)-2-oxoethyl]-2-methyltridecan-2-yl]ammonium bromide IUPAC Name: [3-[2-(1-adamantyl)-2-oxoethyl]-2-methyltridecan-2-yl]azanium bromide Traditional Name: [2-[2-(1-adamantyl)-2-keto-ethyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C26H48BrNO MolecularWeight: 470.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)C12CC3CC(C1)CC(C3)C2)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(CC(=O)C12CC3CC(C1)CC(C3)C2)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C26H47NO.BrH/c1-4-5-6-7-8-9-10-11-12-23(25(2,3)27)16-24(28)26-17-20-13-21(18-26)15-22(14-20)19-26;/h20-23H,4-19,27H2,1-3H3;1H