2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-(benzyloxycarbonylamino)-4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,6-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-4-(4-fluorobenzyl)-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl]acetate Formula: C24H23FN2O5 MolecularWeight: 438.448223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])NC(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])NC(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C24H23FN2O5/c1-16-12-19(13-17-8-10-20(25)11-9-17)22(23(30)27(16,2)14-21(28)29)26-24(31)32-15-18-6-4-3-5-7-18/h3-12H,13-15H2,1-2H3,(H-,26,28,29,31)