dimethyl (2R)-5-(4-methoxyphenyl)-3,6-dimethyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-1H-pyridin-1-ium-2,4-dicarboxylate

Systemtic Name: dimethyl (2R)-5-(4-methoxyphenyl)-3,6-dimethyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-1H-pyridin-1-ium-2,4-dicarboxylate Openeye Name: dimethyl (2R)-2-[(E)-N-hydroxy-C-methyl-carbonimidoyl]-5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-1-ium-2,4-dicarboxylate CAS Name: (2R)-2-[(1E)-1-hydroxyiminoethyl]-5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-1-ium-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-1-ium-2,4-dicarboxylate Traditional Name: (2R)-2-acetohydroximoyl-5-(4-methoxyphenyl)-3,6-dimethyl-1H-pyridin-1-ium-2,4-dicarboxylic acid dimethyl ester Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C([NH2+]C1(C(=NO)C)C(=O)OC)C)C2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=C([NH2+][C@]1(/C(=N/O)/C)C(=O)OC)C)C2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C20H24N2O6/c1-11-16(18(23)27-5)17(14-7-9-15(26-4)10-8-14)12(2)21-20(11,13(3)22-25)19(24)28-6/h7-10,21,25H,1-6H3/p+1/b22-13+/t20-/m1/s1