methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxopropyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C16H17N3O4+2 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC(=O)C[N+]2=CC=CC(=C2)C=NO

Isomeric SMILES

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

InChI

InChI=1S/C16H16N3O4/c1-23-16(21)14-5-3-7-19(10-14)12-15(20)11-18-6-2-4-13(9-18)8-17-22/h2-10H,11-12H2,1H3/q+1/p+1/b17-8+