4-chloranyl-N-(2,6-diethylphenyl)-6-methyl-1-oxidanidyl-5-prop-2-enyl-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 4-chloranyl-N-(2,6-diethylphenyl)-6-methyl-1-oxidanidyl-5-prop-2-enyl-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Openeye Name: 5-allyl-4-chloro-N-(2,6-diethylphenyl)-6-methyl-1-oxido-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide CAS Name: 4-chloro-N-(2,6-diethylphenyl)-6-methyl-1-oxido-5-prop-2-enyl-2-(trifluoromethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-chloro-N-(2,6-diethylphenyl)-6-methyl-1-oxido-5-prop-2-enyl-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Traditional Name: 5-allyl-4-chloro-N-(2,6-diethylphenyl)-6-methyl-1-oxido-2-(trifluoromethyl)pyridin-1-ium-3-carboxamide Formula: C21H22ClF3N2O2 MolecularWeight: 426.85979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClF3N2O2/c1-5-9-15-12(4)27(29)19(21(23,24)25)16(17(15)22)20(28)26-18-13(6-2)10-8-11-14(18)7-3/h5,8,10-11H,1,6-7,9H2,2-4H3,(H,26,28)