5-[(E)-but-2-enyl]-4-chloranyl-N-(2,6-diethyl-4-fluoranyl-phenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-[(E)-but-2-enyl]-4-chloranyl-N-(2,6-diethyl-4-fluoranyl-phenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-fluoro-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-fluorophenyl)-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-fluorophenyl)-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethyl-4-fluoro-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H26ClFN2O2 MolecularWeight: 404.905443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=CC)Cl)CC)F

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)C/C=C/C)Cl)CC)F

InChI

InChI=1S/C22H26ClFN2O2/c1-6-9-10-18-13(4)26(28)14(5)19(20(18)23)22(27)25-21-15(7-2)11-17(24)12-16(21)8-3/h6,9,11-12H,7-8,10H2,1-5H3,(H,25,27)/b9-6+