3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzonitrile CAS Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzonitrile IUPAC Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzonitrile Traditional Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]benzonitrile Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C19H20N2O2/c1-22-18-9-16-6-7-21(13-17(16)10-19(18)23-2)12-15-5-3-4-14(8-15)11-20/h3-5,8-10H,6-7,12-13H2,1-2H3/p+1