(1-methylimidazol-1-ium-1-yl)methyl hexadecanoate chloride

Systemtic Name: (1-methylimidazol-1-ium-1-yl)methyl hexadecanoate chloride Openeye Name: (1-methylimidazol-1-ium-1-yl)methyl hexadecanoate chloride CAS Name: hexadecanoic acid (1-methyl-1-imidazol-1-iumyl)methyl ester chloride IUPAC Name: (1-methylimidazol-1-ium-1-yl)methyl hexadecanoate chloride Traditional Name: palmitic acid (1-methylimidazol-1-ium-1-yl)methyl ester chloride Formula: C21H39ClN2O2 MolecularWeight: 386.99956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC[N+]1(C=CN=C1)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[N+]1(C=CN=C1)C.[Cl-]

InChI

InChI=1S/C21H39N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(24)25-20-23(2)18-17-22-19-23;/h17-19H,3-16,20H2,1-2H3;1H/q+1;/p-1