methyl 2,6-dimethyl-4-(1-oxidanidylpyridin-1-ium-4-yl)benzoate

Systemtic Name: methyl 2,6-dimethyl-4-(1-oxidanidylpyridin-1-ium-4-yl)benzoate Openeye Name: methyl 2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)benzoate CAS Name: 2,6-dimethyl-4-(1-oxido-4-pyridin-1-iumyl)benzoic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)benzoate Traditional Name: 2,6-dimethyl-4-(1-oxidopyridin-1-ium-4-yl)benzoic acid methyl ester Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OC)C)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OC)C)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C15H15NO3/c1-10-8-13(12-4-6-16(18)7-5-12)9-11(2)14(10)15(17)19-3/h4-9H,1-3H3