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

Systemtic Name: 2-(5-azanylisoquinolin-2-ium-2-yl)ethanenitrile Openeye Name: 2-(5-aminoisoquinolin-2-ium-2-yl)acetonitrile CAS Name: 2-(5-amino-2-isoquinolin-2-iumyl)acetonitrile IUPAC Name: 2-(5-aminoisoquinolin-2-ium-2-yl)acetonitrile Traditional Name: 2-(5-aminoisoquinolin-2-ium-2-yl)acetonitrile Formula: C11H10N3+ MolecularWeight: 184.2172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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