2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanenitrile

Systemtic Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanenitrile Openeye Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetonitrile CAS Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetonitrile IUPAC Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetonitrile Traditional Name: 2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetonitrile Formula: C11H13N2+ MolecularWeight: 173.23432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC#N

InChI

InChI=1S/C11H12N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5,7-9H2/p+1