isoquinolin-2-ium octabromide

Systemtic Name: isoquinolin-2-ium octabromide Openeye Name: isoquinolin-2-ium octabromide CAS Name: isoquinolin-2-ium octabromide IUPAC Name: isoquinolin-2-ium octabromide Traditional Name: isoquinolin-2-ium octabromide Formula: C72H64Br8N8 MolecularWeight: 1680.56416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.C1=CC=C2C=[NH+]C=CC2=C1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/8C9H7N.8BrH/c8*1-2-4-9-7-10-6-5-8(9)3-1;;;;;;;;/h8*1-7H;8*1H