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

Systemtic Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl 2-cycloheptyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cycloheptyl-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-cycloheptyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid 2-(2,3-dimethylimidazol-3-ium-1-yl)ethyl ester Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=[N+](C=CN1CCOC(=O)C(C2CCCCCC2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H31N2O3/c1-18-23(2)14-15-24(18)16-17-27-21(25)22(26,20-12-8-5-9-13-20)19-10-6-3-4-7-11-19/h5,8-9,12-15,19,26H,3-4,6-7,10-11,16-17H2,1-2H3/q+1