(4,6-dimethyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl)-phosphonooxy-methanolate

Systemtic Name: (4,6-dimethyl-1-oxidanidyl-5-oxidanyl-pyridin-1-ium-3-yl)-phosphonooxy-methanolate Openeye Name: (5-hydroxy-4,6-dimethyl-1-oxido-pyridin-1-ium-3-yl)-phosphonooxy-methanolate CAS Name: (5-hydroxy-4,6-dimethyl-1-oxido-3-pyridin-1-iumyl)-phosphonooxymethanolate IUPAC Name: (5-hydroxy-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-phosphonooxymethanolate Traditional Name: (5-hydroxy-4,6-dimethyl-1-oxido-pyridin-1-ium-3-yl)-phosphonooxy-methanolate Formula: C8H11NO7P- MolecularWeight: 264.149201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1C([O-])OP(=O)(O)O)[O-])C)O

Isomeric SMILES

CC1=C(C(=[N+](C=C1C([O-])OP(=O)(O)O)[O-])C)O

InChI

InChI=1S/C8H11NO7P/c1-4-6(8(11)16-17(13,14)15)3-9(12)5(2)7(4)10/h3,8,10H,1-2H3,(H2,13,14,15)/q-1