3-[3-(cyclopropylmethyl)-2-methyl-imidazol-3-ium-1-yl]propyl 2,2-bis(4-fluorophenyl)-2-oxidanyl-ethanoate

Systemtic Name: 3-[3-(cyclopropylmethyl)-2-methyl-imidazol-3-ium-1-yl]propyl 2,2-bis(4-fluorophenyl)-2-oxidanyl-ethanoate Openeye Name: 3-[3-(cyclopropylmethyl)-2-methyl-imidazol-3-ium-1-yl]propyl 2,2-bis(4-fluorophenyl)-2-hydroxy-acetate CAS Name: 2,2-bis(4-fluorophenyl)-2-hydroxyacetic acid 3-[3-(cyclopropylmethyl)-2-methyl-1-imidazol-3-iumyl]propyl ester IUPAC Name: 3-[3-(cyclopropylmethyl)-2-methylimidazol-3-ium-1-yl]propyl 2,2-bis(4-fluorophenyl)-2-hydroxyacetate Traditional Name: 2,2-bis(4-fluorophenyl)-2-hydroxy-acetic acid 3-[3-(cyclopropylmethyl)-2-methyl-imidazol-3-ium-1-yl]propyl ester Formula: C25H27F2N2O3+ MolecularWeight: 441.490286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CCCOC(=O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O)CC4CC4

Isomeric SMILES

CC1=[N+](C=CN1CCCOC(=O)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O)CC4CC4

InChI

InChI=1S/C25H27F2N2O3/c1-18-28(14-15-29(18)17-19-3-4-19)13-2-16-32-24(30)25(31,20-5-9-22(26)10-6-20)21-7-11-23(27)12-8-21/h5-12,14-15,19,31H,2-4,13,16-17H2,1H3/q+1