1-[2-(3-oxidanidylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-olate

Systemtic Name: 1-[2-(3-oxidanidylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-olate Openeye Name: 1-[2-(3-oxidopyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-olate CAS Name: 1-[2-(3-oxido-1-pyridin-1-iumyl)ethyl]-3-pyridin-1-iumolate IUPAC Name: 1-[2-(3-oxidopyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-olate Traditional Name: 1-[2-(3-oxidopyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-olate Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC[N+]2=CC=CC(=C2)[O-])[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC[N+]2=CC=CC(=C2)[O-])[O-]

InChI

InChI=1S/C12H12N2O2/c15-11-3-1-5-13(9-11)7-8-14-6-2-4-12(16)10-14/h1-6,9-10H,7-8H2