N-(2,3-dimethylphenyl)-4-fluoranyl-2,6-dimethyl-1-oxidanidyl-5-prop-2-enyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-fluoranyl-2,6-dimethyl-1-oxidanidyl-5-prop-2-enyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-allyl-N-(2,3-dimethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-5-prop-2-enyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-5-prop-2-enylpyridin-1-ium-3-carboxamide Traditional Name: 5-allyl-N-(2,3-dimethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H21FN2O2 MolecularWeight: 328.380643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=C)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=C)F)C

InChI

InChI=1S/C19H21FN2O2/c1-6-8-15-13(4)22(24)14(5)17(18(15)20)19(23)21-16-10-7-9-11(2)12(16)3/h6-7,9-10H,1,8H2,2-5H3,(H,21,23)