2-oxidanyl-5-(pyridin-1-ium-1-ylmethyl)isoindole-1,3-dione bromide

Systemtic Name: 2-oxidanyl-5-(pyridin-1-ium-1-ylmethyl)isoindole-1,3-dione bromide Openeye Name: 2-hydroxy-5-(pyridin-1-ium-1-ylmethyl)isoindoline-1,3-dione bromide CAS Name: 2-hydroxy-5-(1-pyridin-1-iumylmethyl)isoindole-1,3-dione bromide IUPAC Name: 2-hydroxy-5-(pyridin-1-ium-1-ylmethyl)isoindole-1,3-dione bromide Traditional Name: 2-hydroxy-5-(pyridin-1-ium-1-ylmethyl)isoindoline-1,3-quinone bromide Formula: C14H11BrN2O3 MolecularWeight: 335.15274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC3=C(C=C2)C(=O)N(C3=O)O.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC3=C(C=C2)C(=O)N(C3=O)O.[Br-]

InChI

InChI=1S/C14H11N2O3.BrH/c17-13-11-5-4-10(8-12(11)14(18)16(13)19)9-15-6-2-1-3-7-15;/h1-8,19H,9H2;1H/q+1;/p-1