1-(4-iodophenyl)-5-oxidanyl-5-pyridin-4-yl-2-aza-1-azoniabicyclo[2.1.1]hexane-3,6-dione

Systemtic Name: 1-(4-iodophenyl)-5-oxidanyl-5-pyridin-4-yl-2-aza-1-azoniabicyclo[2.1.1]hexane-3,6-dione Openeye Name: 5-hydroxy-1-(4-iodophenyl)-5-(4-pyridyl)-2-aza-1-azoniabicyclo[2.1.1]hexane-3,6-dione CAS Name: 5-hydroxy-1-(4-iodophenyl)-5-pyridin-4-yl-2-aza-1-azoniabicyclo[2.1.1]hexane-3,6-dione IUPAC Name: 5-hydroxy-1-(4-iodophenyl)-5-pyridin-4-yl-2-aza-1-azoniabicyclo[2.1.1]hexane-3,6-dione Traditional Name: 5-hydroxy-1-(4-iodophenyl)-5-(4-pyridyl)-2-aza-1-azoniabicyclo[2.1.1]hexane-3,6-quinone Formula: C15H11IN3O3+ MolecularWeight: 408.17061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+]23C(=O)C(C2(C4=CC=NC=C4)O)C(=O)N3)I

Isomeric SMILES

C1=CC(=CC=C1[N+]23C(=O)C(C2(C4=CC=NC=C4)O)C(=O)N3)I

InChI

InChI=1S/C15H10IN3O3/c16-10-1-3-11(4-2-10)19-14(21)12(13(20)18-19)15(19,22)9-5-7-17-8-6-9/h1-8,12,22H/p+1