2-[1-(1-adamantylcarbonyloxy)ethyl]dodecyl-dimethyl-azanium bromide

Systemtic Name: 2-[1-(1-adamantylcarbonyloxy)ethyl]dodecyl-dimethyl-azanium bromide Openeye Name: 2-[1-(adamantane-1-carbonyloxy)ethyl]dodecyl-dimethyl-ammonium bromide CAS Name: 2-[1-[1-adamantyl(oxo)methoxy]ethyl]dodecyl-dimethylammonium bromide IUPAC Name: 2-[1-(adamantane-1-carbonyloxy)ethyl]dodecyl-dimethylazanium bromide Traditional Name: 2-[1-(adamantane-1-carbonyloxy)ethyl]dodecyl-dimethyl-ammonium bromide Formula: C27H50BrNO2 MolecularWeight: 500.5954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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