3-[4-[1-(3-oxidanidyl-3-oxidanylidene-propyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[1-(3-oxidanidyl-3-oxidanylidene-propyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[1-(3-oxido-3-oxo-propyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propanoate CAS Name: 3-[4-[1-(3-oxido-3-oxopropyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]propanoate IUPAC Name: 3-[4-[1-(3-oxido-3-oxopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[1-(3-keto-3-oxido-propyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propionate Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C16H16N2O4/c19-15(20)5-11-17-7-1-13(2-8-17)14-3-9-18(10-4-14)12-6-16(21)22/h1-4,7-10H,5-6,11-12H2