2-isoquinolin-2-ium-2-ylethanenitrile chloride

Systemtic Name: 2-isoquinolin-2-ium-2-ylethanenitrile chloride Openeye Name: 2-isoquinolin-2-ium-2-ylacetonitrile chloride CAS Name: 2-(2-isoquinolin-2-iumyl)acetonitrile chloride IUPAC Name: 2-isoquinolin-2-ium-2-ylacetonitrile chloride Traditional Name: 2-isoquinolin-2-ium-2-ylacetonitrile chloride Formula: C11H9ClN2 MolecularWeight: 204.65556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N2.ClH/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