2-isoquinolin-2-ium-2-ylethanenitrile bromide

Systemtic Name: 2-isoquinolin-2-ium-2-ylethanenitrile bromide Openeye Name: 2-isoquinolin-2-ium-2-ylacetonitrile bromide CAS Name: 2-(2-isoquinolin-2-iumyl)acetonitrile bromide IUPAC Name: 2-isoquinolin-2-ium-2-ylacetonitrile bromide Traditional Name: 2-isoquinolin-2-ium-2-ylacetonitrile bromide Formula: C11H9BrN2 MolecularWeight: 249.10656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC#N.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC#N.[Br-]

InChI

InChI=1S/C11H9N2.BrH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h1-5,7,9H,8H2;1H/q+1;/p-1