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

Systemtic Name: 4-chloranyl-N-(2,6-diethylphenyl)-1-oxidanidyl-5-prop-2-enyl-2,6-bis(trifluoromethyl)pyridin-1-ium-3-carboxamide Openeye Name: 5-allyl-4-chloro-N-(2,6-diethylphenyl)-1-oxido-2,6-bis(trifluoromethyl)pyridin-1-ium-3-carboxamide CAS Name: 4-chloro-N-(2,6-diethylphenyl)-1-oxido-5-prop-2-enyl-2,6-bis(trifluoromethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 4-chloro-N-(2,6-diethylphenyl)-1-oxido-5-prop-2-enyl-2,6-bis(trifluoromethyl)pyridin-1-ium-3-carboxamide Traditional Name: 5-allyl-4-chloro-N-(2,6-diethylphenyl)-1-oxido-2,6-bis(trifluoromethyl)pyridin-1-ium-3-carboxamide Formula: C21H19ClF6N2O2 MolecularWeight: 480.831179

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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(F)(F)F)CC=C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClF6N2O2/c1-4-8-13-15(22)14(18(21(26,27)28)30(32)17(13)20(23,24)25)19(31)29-16-11(5-2)9-7-10-12(16)6-3/h4,7,9-10H,1,5-6,8H2,2-3H3,(H,29,31)