1-methyl-4-[2-(1-methyl-3-oxidanidyl-pyridin-1-ium-4-yl)pyrimidin-4-yl]pyridin-1-ium-3-olate

Systemtic Name: 1-methyl-4-[2-(1-methyl-3-oxidanidyl-pyridin-1-ium-4-yl)pyrimidin-4-yl]pyridin-1-ium-3-olate Openeye Name: 1-methyl-4-[2-(1-methyl-3-oxido-pyridin-1-ium-4-yl)pyrimidin-4-yl]pyridin-1-ium-3-olate CAS Name: 1-methyl-4-[2-(1-methyl-3-oxido-4-pyridin-1-iumyl)-4-pyrimidinyl]-3-pyridin-1-iumolate IUPAC Name: 1-methyl-4-[2-(1-methyl-3-oxidopyridin-1-ium-4-yl)pyrimidin-4-yl]pyridin-1-ium-3-olate Traditional Name: 1-methyl-4-[2-(1-methyl-3-oxido-pyridin-1-ium-4-yl)pyrimidin-4-yl]pyridin-1-ium-3-olate Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)C2=NC(=NC=C2)C3=C(C=[N+](C=C3)C)[O-])[O-]

Isomeric SMILES

C[N+]1=CC(=C(C=C1)C2=NC(=NC=C2)C3=C(C=[N+](C=C3)C)[O-])[O-]

InChI

InChI=1S/C16H14N4O2/c1-19-7-4-11(14(21)9-19)13-3-6-17-16(18-13)12-5-8-20(2)10-15(12)22/h3-10H,1-2H3