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

Systemtic Name: 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]pyrrol-1-yl]benzonitrile CAS Name: 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 4-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]pyrrol-1-yl]benzonitrile Formula: C23H24N3O2+ MolecularWeight: 374.45556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=CN3C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=CN3C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C23H23N3O2/c1-27-22-12-18-9-11-25(15-19(18)13-23(22)28-2)16-21-4-3-10-26(21)20-7-5-17(14-24)6-8-20/h3-8,10,12-13H,9,11,15-16H2,1-2H3/p+1