[3-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)imidazol-1-ium-1-yl]methyl dodecanoate chloride

Systemtic Name: [3-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)imidazol-1-ium-1-yl]methyl dodecanoate chloride Openeye Name: [3-(1,1-dimethyl-2-oxo-2-phenyl-ethyl)imidazol-1-ium-1-yl]methyl dodecanoate chloride CAS Name: dodecanoic acid [3-(2-methyl-1-oxo-1-phenylpropan-2-yl)-1-imidazol-1-iumyl]methyl ester chloride IUPAC Name: [3-(2-methyl-1-oxo-1-phenylpropan-2-yl)imidazol-1-ium-1-yl]methyl dodecanoate chloride Traditional Name: lauric acid [3-(2-keto-1,1-dimethyl-2-phenyl-ethyl)imidazol-1-ium-1-yl]methyl ester chloride Formula: C26H39ClN2O3 MolecularWeight: 463.05246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC[N+]1=CN(C=C1)C(C)(C)C(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OC[N+]1=CN(C=C1)C(C)(C)C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C26H39N2O3.ClH/c1-4-5-6-7-8-9-10-11-15-18-24(29)31-22-27-19-20-28(21-27)26(2,3)25(30)23-16-13-12-14-17-23;/h12-14,16-17,19-21H,4-11,15,18,22H2,1-3H3;1H/q+1;/p-1