methyl 4-chloranyl-6-methyl-1-oxidanidyl-2-(2,4,6-trimethylphenoxy)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 4-chloranyl-6-methyl-1-oxidanidyl-2-(2,4,6-trimethylphenoxy)pyridin-1-ium-3-carboxylate Openeye Name: methyl 4-chloro-6-methyl-1-oxido-2-(2,4,6-trimethylphenoxy)pyridin-1-ium-3-carboxylate CAS Name: 4-chloro-6-methyl-1-oxido-2-(2,4,6-trimethylphenoxy)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-6-methyl-1-oxido-2-(2,4,6-trimethylphenoxy)pyridin-1-ium-3-carboxylate Traditional Name: 4-chloro-6-methyl-1-oxido-2-(2,4,6-trimethylphenoxy)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=[N+]2[O-])C)Cl)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=C(C(=CC(=[N+]2[O-])C)Cl)C(=O)OC)C

InChI

InChI=1S/C17H18ClNO4/c1-9-6-10(2)15(11(3)7-9)23-16-14(17(20)22-5)13(18)8-12(4)19(16)21/h6-8H,1-5H3