2-(5-azanylisoquinolin-2-ium-2-yl)ethanenitrile bromide

Systemtic Name: 2-(5-azanylisoquinolin-2-ium-2-yl)ethanenitrile bromide Openeye Name: 2-(5-aminoisoquinolin-2-ium-2-yl)acetonitrile bromide CAS Name: 2-(5-amino-2-isoquinolin-2-iumyl)acetonitrile bromide IUPAC Name: 2-(5-aminoisoquinolin-2-ium-2-yl)acetonitrile bromide Traditional Name: 2-(5-aminoisoquinolin-2-ium-2-yl)acetonitrile bromide Formula: C11H10BrN3 MolecularWeight: 264.1212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[N+](=C2)CC#N)C(=C1)N.[Br-]

Isomeric SMILES

C1=CC2=C(C=C[N+](=C2)CC#N)C(=C1)N.[Br-]

InChI

InChI=1S/C11H10N3.BrH/c12-5-7-14-6-4-10-9(8-14)2-1-3-11(10)13;/h1-4,6,8H,7,13H2;1H/q+1;/p-1