[1,2-bis(oxidanylidene)-3-phenyl-pentadecan-4-yl]azanium bromide

Systemtic Name: [1,2-bis(oxidanylidene)-3-phenyl-pentadecan-4-yl]azanium bromide Openeye Name: 1-(2,3-dioxo-1-phenyl-propyl)dodecylammonium bromide CAS Name: (1,2-dioxo-3-phenylpentadecan-4-yl)ammonium bromide IUPAC Name: (1,2-dioxo-3-phenylpentadecan-4-yl)azanium bromide Traditional Name: 1-(2,3-diketo-1-phenyl-propyl)dodecylammonium bromide Formula: C21H34BrNO2 MolecularWeight: 412.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C1=CC=CC=C1)C(=O)C=O)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCC(C(C1=CC=CC=C1)C(=O)C=O)[NH3+].[Br-]

InChI

InChI=1S/C21H33NO2.BrH/c1-2-3-4-5-6-7-8-9-13-16-19(22)21(20(24)17-23)18-14-11-10-12-15-18;/h10-12,14-15,17,19,21H,2-9,13,16,22H2,1H3;1H