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

Systemtic Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzonitrile CAS Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzonitrile IUPAC Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzonitrile Traditional Name: 3-[[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]benzonitrile Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CC3=CC=CC(=C3)C#N)OC)OC

InChI

InChI=1S/C20H22N2O2/c1-14-18-11-20(24-3)19(23-2)10-17(18)7-8-22(14)13-16-6-4-5-15(9-16)12-21/h4-6,9-11,14H,7-8,13H2,1-3H3/p+1/t14-/m0/s1