2-[4-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=C(C=CC=N3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H18N4O4/c18-9-12-2-1-3-19-17(12)21-6-4-20(5-7-21)10-15-16(24)14(23)8-13(11-22)25-15/h1-3,8,22,24H,4-7,10-11H2/p+1