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

Systemtic Name: 5-[(E)-but-2-enyl]-4-chloranyl-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-[(E)-but-2-enyl]-4-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H27ClN2O2 MolecularWeight: 386.91498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2/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+