diethyl 2-[2-[1-(6-fluoranylpyridin-1-ium-2-yl)piperidin-4-ylidene]hydrazinyl]-6-oxidanylidene-1H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[2-[1-(6-fluoranylpyridin-1-ium-2-yl)piperidin-4-ylidene]hydrazinyl]-6-oxidanylidene-1H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[2-[1-(6-fluoropyridin-1-ium-2-yl)-4-piperidylidene]hydrazino]-6-oxo-1H-pyridine-3,5-dicarboxylate CAS Name: 2-[2-[1-(6-fluoro-2-pyridin-1-iumyl)-4-piperidinylidene]hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-[1-(6-fluoropyridin-1-ium-2-yl)piperidin-4-ylidene]hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-[N'-[1-(6-fluoropyridin-1-ium-2-yl)-4-piperidylidene]hydrazino]-6-keto-1H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H25FN5O5+ MolecularWeight: 446.452103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)NN=C2CCN(CC2)C3=[NH+]C(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)NN=C2CCN(CC2)C3=[NH+]C(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C21H24FN5O5/c1-3-31-20(29)14-12-15(21(30)32-4-2)19(28)24-18(14)26-25-13-8-10-27(11-9-13)17-7-5-6-16(22)23-17/h5-7,12H,3-4,8-11H2,1-2H3,(H2,24,26,28)/p+1