2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H27N2O3/c1-21-12-13-22(16-21)14-15-25-19(23)20(24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,12-13,16,18,24H,3,6-7,10-11,14-15H2,1H3/q+1