N-(2,6-diethyl-4-fluoranyl-phenyl)-4-iodanyl-2,6-dimethyl-1-oxidanidyl-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethyl-4-fluoranyl-phenyl)-4-iodanyl-2,6-dimethyl-1-oxidanidyl-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethyl-4-fluoro-phenyl)-4-iodo-2,6-dimethyl-1-oxido-5-prop-2-ynyl-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethyl-4-fluorophenyl)-4-iodo-2,6-dimethyl-1-oxido-5-prop-2-ynyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethyl-4-fluorophenyl)-4-iodo-2,6-dimethyl-1-oxido-5-prop-2-ynylpyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethyl-4-fluoro-phenyl)-4-iodo-2,6-dimethyl-1-oxido-5-propargyl-pyridin-1-ium-3-carboxamide Formula: C21H22FIN2O2 MolecularWeight: 480.314453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FIN2O2/c1-6-9-17-12(4)25(27)13(5)18(19(17)23)21(26)24-20-14(7-2)10-16(22)11-15(20)8-3/h1,10-11H,7-9H2,2-5H3,(H,24,26)