[1-methoxy-1-oxidanylidene-2-(2,3,4-tridodecylphenyl)propan-2-yl]azanium bromide

Systemtic Name: [1-methoxy-1-oxidanylidene-2-(2,3,4-tridodecylphenyl)propan-2-yl]azanium bromide Openeye Name: [2-methoxy-1-methyl-2-oxo-1-(2,3,4-tridodecylphenyl)ethyl]ammonium bromide CAS Name: [1-methoxy-1-oxo-2-(2,3,4-tridodecylphenyl)propan-2-yl]ammonium bromide IUPAC Name: [1-methoxy-1-oxo-2-(2,3,4-tridodecylphenyl)propan-2-yl]azanium bromide Traditional Name: [2-keto-2-methoxy-1-methyl-1-(2,3,4-trilaurylphenyl)ethyl]ammonium bromide Formula: C46H86BrNO2 MolecularWeight: 765.08454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(C)(C(=O)OC)[NH3+])CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(C)(C(=O)OC)[NH3+])CCCCCCCCCCCC)CCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C46H85NO2.BrH/c1-6-9-12-15-18-21-24-27-30-33-36-41-39-40-44(46(4,47)45(48)49-5)43(38-35-32-29-26-23-20-17-14-11-8-3)42(41)37-34-31-28-25-22-19-16-13-10-7-2;/h39-40H,6-38,47H2,1-5H3;1H