5-[2,3-bis(oxidanyl)propyl]-1-oxidanyl-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-3-one

Systemtic Name: 5-[2,3-bis(oxidanyl)propyl]-1-oxidanyl-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-3-one Openeye Name: 5-(2,3-dihydroxypropyl)-1-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-3-one CAS Name: 5-(2,3-dihydroxypropyl)-1-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-3-one IUPAC Name: 5-(2,3-dihydroxypropyl)-1-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-3-one Traditional Name: 5-glyceryl-1-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyridin-5-ium-3-one Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=C(C=[N+](C=C3)CC(CO)O)C(=O)N2)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=C(C=[N+](C=C3)CC(CO)O)C(=O)N2)O

InChI

InChI=1S/C16H16N2O4/c19-10-12(20)8-18-7-6-14-13(9-18)15(21)17-16(14,22)11-4-2-1-3-5-11/h1-7,9,12,19-20,22H,8,10H2/p+1