(1-methylimidazol-1-ium-1-yl)methyl octanoate bromide

Systemtic Name: (1-methylimidazol-1-ium-1-yl)methyl octanoate bromide Openeye Name: (1-methylimidazol-1-ium-1-yl)methyl octanoate bromide CAS Name: octanoic acid (1-methyl-1-imidazol-1-iumyl)methyl ester bromide IUPAC Name: (1-methylimidazol-1-ium-1-yl)methyl octanoate bromide Traditional Name: caprylic acid (1-methylimidazol-1-ium-1-yl)methyl ester bromide Formula: C13H23BrN2O2 MolecularWeight: 319.23792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC[N+]1(C=CN=C1)C.[Br-]

Isomeric SMILES

CCCCCCCC(=O)OC[N+]1(C=CN=C1)C.[Br-]

InChI

InChI=1S/C13H23N2O2.BrH/c1-3-4-5-6-7-8-13(16)17-12-15(2)10-9-14-11-15;/h9-11H,3-8,12H2,1-2H3;1H/q+1;/p-1