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

Systemtic Name: [3-[1-(1-adamantyloxy)ethyl]-2-methyl-tridecan-2-yl]azanium bromide Openeye Name: [2-[1-(1-adamantyloxy)ethyl]-1,1-dimethyl-dodecyl]ammonium bromide CAS Name: [3-[1-(1-adamantyloxy)ethyl]-2-methyltridecan-2-yl]ammonium bromide IUPAC Name: [3-[1-(1-adamantyloxy)ethyl]-2-methyltridecan-2-yl]azanium bromide Traditional Name: [2-[1-(1-adamantyloxy)ethyl]-1,1-dimethyl-dodecyl]ammonium bromide Formula: C26H50BrNO MolecularWeight: 472.5853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C)OC12CC3CC(C1)CC(C3)C2)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(C(C)OC12CC3CC(C1)CC(C3)C2)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C26H49NO.BrH/c1-5-6-7-8-9-10-11-12-13-24(25(3,4)27)20(2)28-26-17-21-14-22(18-26)16-23(15-21)19-26;/h20-24H,5-19,27H2,1-4H3;1H