5-[(E)-but-2-enyl]-N-(2,6-diethylphenyl)-4-iodanyl-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-[(E)-but-2-enyl]-N-(2,6-diethylphenyl)-4-iodanyl-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-[(E)-but-2-enyl]-N-(2,6-diethylphenyl)-4-iodo-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-[(E)-but-2-enyl]-N-(2,6-diethylphenyl)-4-iodo-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-[(E)-but-2-enyl]-N-(2,6-diethylphenyl)-4-iodo-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-[(E)-but-2-enyl]-N-(2,6-diethylphenyl)-4-iodo-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H27IN2O2 MolecularWeight: 478.36645

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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=CC)I

Isomeric SMILES

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

InChI

InChI=1S/C22H27IN2O2/c1-6-9-13-18-14(4)25(27)15(5)19(20(18)23)22(26)24-21-16(7-2)11-10-12-17(21)8-3/h6,9-12H,7-8,13H2,1-5H3,(H,24,26)/b9-6+