2-[2,3-bis(oxidanyl)propoxy]-5-(1-oxidanidylpyridin-1-ium-4-yl)pyridine-3-carbonitrile

Systemtic Name: 2-[2,3-bis(oxidanyl)propoxy]-5-(1-oxidanidylpyridin-1-ium-4-yl)pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydroxypropoxy)-5-(1-oxidopyridin-1-ium-4-yl)pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydroxypropoxy)-5-(1-oxido-4-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydroxypropoxy)-5-(1-oxidopyridin-1-ium-4-yl)pyridine-3-carbonitrile Traditional Name: 2-glyceryloxy-5-(1-oxidopyridin-1-ium-4-yl)nicotinonitrile Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C2=CN=C(C(=C2)C#N)OCC(CO)O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C2=CN=C(C(=C2)C#N)OCC(CO)O)[O-]

InChI

InChI=1S/C14H13N3O4/c15-6-11-5-12(10-1-3-17(20)4-2-10)7-16-14(11)21-9-13(19)8-18/h1-5,7,13,18-19H,8-9H2