4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzonitrile CAS Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzonitrile IUPAC Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethoxy]benzonitrile Formula: C18H19N2O+ MolecularWeight: 279.35626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18N2O/c19-13-15-5-7-18(8-6-15)21-12-11-20-10-9-16-3-1-2-4-17(16)14-20/h1-8H,9-12,14H2/p+1