[3-[1-(1-adamantyl)-1-oxidanylidene-butan-2-yl]-2-methyl-pentadecan-2-yl]azanium bromide

Systemtic Name: [3-[1-(1-adamantyl)-1-oxidanylidene-butan-2-yl]-2-methyl-pentadecan-2-yl]azanium bromide Openeye Name: [2-[1-(adamantane-1-carbonyl)propyl]-1,1-dimethyl-tetradecyl]ammonium bromide CAS Name: [3-[1-(1-adamantyl)-1-oxobutan-2-yl]-2-methylpentadecan-2-yl]ammonium bromide IUPAC Name: [3-[1-(1-adamantyl)-1-oxobutan-2-yl]-2-methylpentadecan-2-yl]azanium bromide Traditional Name: [2-[1-(adamantane-1-carbonyl)propyl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C30H56BrNO MolecularWeight: 526.67574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55NO.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-27(29(3,4)31)26(6-2)28(32)30-20-23-17-24(21-30)19-25(18-23)22-30;/h23-27H,5-22,31H2,1-4H3;1H