methyl 4-[6-(4-methylphenyl)-1-oxidanidyl-pyrazin-1-ium-2-yl]benzoate

Systemtic Name: methyl 4-[6-(4-methylphenyl)-1-oxidanidyl-pyrazin-1-ium-2-yl]benzoate Openeye Name: methyl 4-[1-oxido-6-(p-tolyl)pyrazin-1-ium-2-yl]benzoate CAS Name: 4-[6-(4-methylphenyl)-1-oxido-2-pyrazin-1-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-methylphenyl)-1-oxidopyrazin-1-ium-2-yl]benzoate Traditional Name: 4-[1-oxido-6-(p-tolyl)pyrazin-1-ium-2-yl]benzoic acid methyl ester Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=CN=C2)C3=CC=C(C=C3)C(=O)OC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CN=C2)C3=CC=C(C=C3)C(=O)OC)[O-]

InChI

InChI=1S/C19H16N2O3/c1-13-3-5-14(6-4-13)17-11-20-12-18(21(17)23)15-7-9-16(10-8-15)19(22)24-2/h3-12H,1-2H3