6,7-dimethoxy-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C(NN=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=C(NN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H23N3O2/c1-25-19-10-16-8-9-24(13-17(16)11-20(19)26-2)14-18-12-22-23-21(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,22,23)/p+1