[3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]-2-methyl-nonadecan-2-yl]azanium bromide

Systemtic Name: [3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]-2-methyl-nonadecan-2-yl]azanium bromide Openeye Name: [2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]-1,1-dimethyl-octadecyl]ammonium bromide CAS Name: [3-[1-(1-adamantyl)-1-oxopropan-2-yl]-2-methylnonadecan-2-yl]ammonium bromide IUPAC Name: [3-[1-(1-adamantyl)-1-oxopropan-2-yl]-2-methylnonadecan-2-yl]azanium bromide Traditional Name: [2-[2-(1-adamantyl)-2-keto-1-methyl-ethyl]-1,1-dimethyl-octadecyl]ammonium bromide Formula: C33H62BrNO MolecularWeight: 568.75548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61NO.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(32(3,4)34)26(2)31(35)33-23-27-20-28(24-33)22-29(21-27)25-33;/h26-30H,5-25,34H2,1-4H3;1H