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

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyronitrile Formula: C13H17N2+ MolecularWeight: 201.28748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2/c14-8-3-4-9-15-10-7-12-5-1-2-6-13(12)11-15/h1-2,5-6H,3-4,7,9-11H2/p+1