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

Systemtic Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(2,3-dimethyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H29N2O3/c1-17-22(2)13-14-23(17)15-16-26-20(24)21(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,13-14,19,25H,4,7-8,11-12,15-16H2,1-2H3/q+1