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

Systemtic Name: [3-[2-(1-adamantylcarbonyloxy)ethyl]-2-methyl-tridecan-2-yl]azanium bromide Openeye Name: [2-[2-(adamantane-1-carbonyloxy)ethyl]-1,1-dimethyl-dodecyl]ammonium bromide CAS Name: [3-[2-[1-adamantyl(oxo)methoxy]ethyl]-2-methyltridecan-2-yl]ammonium bromide IUPAC Name: [3-[2-(adamantane-1-carbonyloxy)ethyl]-2-methyltridecan-2-yl]azanium bromide Traditional Name: [2-[2-(adamantane-1-carbonyloxy)ethyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C27H50BrNO2 MolecularWeight: 500.5954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49NO2.BrH/c1-4-5-6-7-8-9-10-11-12-24(26(2,3)28)13-14-30-25(29)27-18-21-15-22(19-27)17-23(16-21)20-27;/h21-24H,4-20,28H2,1-3H3;1H