1-(2-hexadecoxypropyl)-3-methyl-imidazol-3-ium bromide

Systemtic Name: 1-(2-hexadecoxypropyl)-3-methyl-imidazol-3-ium bromide Openeye Name: 1-(2-hexadecoxypropyl)-3-methyl-imidazol-3-ium bromide CAS Name: 1-(2-hexadecoxypropyl)-3-methylimidazol-3-ium bromide IUPAC Name: 1-(2-hexadecoxypropyl)-3-methylimidazol-3-ium bromide Traditional Name: 1-(2-cetyloxypropyl)-3-methyl-imidazol-3-ium bromide Formula: C23H45BrN2O MolecularWeight: 445.5202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)CN1C=C[N+](=C1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)CN1C=C[N+](=C1)C.[Br-]

InChI

InChI=1S/C23H45N2O.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23(2)21-25-19-18-24(3)22-25;/h18-19,22-23H,4-17,20-21H2,1-3H3;1H/q+1;/p-1