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

Systemtic Name: N-(2,6-diethylphenyl)-4-fluoranyl-2,6-dimethyl-1-oxidanidyl-5-prop-2-enyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-allyl-N-(2,6-diethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-5-prop-2-enyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-5-prop-2-enylpyridin-1-ium-3-carboxamide Traditional Name: 5-allyl-N-(2,6-diethylphenyl)-4-fluoro-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=C)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=C)F

InChI

InChI=1S/C21H25FN2O2/c1-6-10-17-13(4)24(26)14(5)18(19(17)22)21(25)23-20-15(7-2)11-9-12-16(20)8-3/h6,9,11-12H,1,7-8,10H2,2-5H3,(H,23,25)