1-(12-diethoxyphosphoryldodecyl)-3-methyl-imidazol-3-ium bromide

Systemtic Name: 1-(12-diethoxyphosphoryldodecyl)-3-methyl-imidazol-3-ium bromide Openeye Name: 1-(12-diethoxyphosphoryldodecyl)-3-methyl-imidazol-3-ium bromide CAS Name: 1-(12-diethoxyphosphoryldodecyl)-3-methylimidazol-3-ium bromide IUPAC Name: 1-(12-diethoxyphosphoryldodecyl)-3-methylimidazol-3-ium bromide Traditional Name: 1-(12-diethoxyphosphoryldodecyl)-3-methyl-imidazol-3-ium bromide Formula: C20H40BrN2O3P MolecularWeight: 467.420961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCCCCCCCCCCN1C=C[N+](=C1)C)OCC.[Br-]

Isomeric SMILES

CCOP(=O)(CCCCCCCCCCCCN1C=C[N+](=C1)C)OCC.[Br-]

InChI

InChI=1S/C20H40N2O3P.BrH/c1-4-24-26(23,25-5-2)19-15-13-11-9-7-6-8-10-12-14-16-22-18-17-21(3)20-22;/h17-18,20H,4-16,19H2,1-3H3;1H/q+1;/p-1