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

Systemtic Name: [3-[1-(1-adamantyloxy)ethyl]-2-methyl-pentadecan-2-yl]azanium bromide Openeye Name: [2-[1-(1-adamantyloxy)ethyl]-1,1-dimethyl-tetradecyl]ammonium bromide CAS Name: [3-[1-(1-adamantyloxy)ethyl]-2-methylpentadecan-2-yl]ammonium bromide IUPAC Name: [3-[1-(1-adamantyloxy)ethyl]-2-methylpentadecan-2-yl]azanium bromide Traditional Name: [2-[1-(1-adamantyloxy)ethyl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C28H54BrNO MolecularWeight: 500.63846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H53NO.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-26(27(3,4)29)22(2)30-28-19-23-16-24(20-28)18-25(17-23)21-28;/h22-26H,5-21,29H2,1-4H3;1H