methyl-octadecyl-bis(prop-2-enyl)azanium bromide

Systemtic Name: methyl-octadecyl-bis(prop-2-enyl)azanium bromide Openeye Name: diallyl-methyl-octadecyl-ammonium bromide CAS Name: methyl-octadecyl-bis(prop-2-enyl)ammonium bromide IUPAC Name: methyl-octadecyl-bis(prop-2-enyl)azanium bromide Traditional Name: diallyl-methyl-stearyl-ammonium bromide Formula: C25H50BrN MolecularWeight: 444.5752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CC=C)CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CC=C)CC=C.[Br-]

InChI

InChI=1S/C25H50N.BrH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-26(4,23-6-2)24-7-3;/h6-7H,2-3,5,8-25H2,1,4H3;1H/q+1;/p-1