5-chloranyl-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-4-prop-2-enoxy-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-chloranyl-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxidanidyl-4-prop-2-enoxy-pyridin-1-ium-3-carboxamide Openeye Name: 4-allyloxy-5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-prop-2-enoxy-3-pyridin-1-iumcarboxamide IUPAC Name: 5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-4-prop-2-enoxypyridin-1-ium-3-carboxamide Traditional Name: 4-allyloxy-5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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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)Cl)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/c1-6-12-27-20-17(13(4)24(26)14(5)18(20)22)21(25)23-19-15(7-2)10-9-11-16(19)8-3/h6,9-11H,1,7-8,12H2,2-5H3,(H,23,25)