2-[2-[3-(phenylmethyl)pyridin-1-ium-1-yl]ethoxy]isoindole-1,3-dione bromide

Systemtic Name: 2-[2-[3-(phenylmethyl)pyridin-1-ium-1-yl]ethoxy]isoindole-1,3-dione bromide Openeye Name: 2-[2-(3-benzylpyridin-1-ium-1-yl)ethoxy]isoindoline-1,3-dione bromide CAS Name: 2-[2-[3-(phenylmethyl)-1-pyridin-1-iumyl]ethoxy]isoindole-1,3-dione bromide IUPAC Name: 2-[2-(3-benzylpyridin-1-ium-1-yl)ethoxy]isoindole-1,3-dione bromide Traditional Name: 2-[2-(3-benzylpyridin-1-ium-1-yl)ethoxy]isoindoline-1,3-quinone bromide Formula: C22H19BrN2O3 MolecularWeight: 439.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)CCON3C(=O)C4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)CCON3C(=O)C4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C22H19N2O3.BrH/c25-21-19-10-4-5-11-20(19)22(26)24(21)27-14-13-23-12-6-9-18(16-23)15-17-7-2-1-3-8-17;/h1-12,16H,13-15H2;1H/q+1;/p-1