1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium

Systemtic Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium Openeye Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium CAS Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium IUPAC Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium Traditional Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium Formula: C22H21ClN3O2+ MolecularWeight: 394.87404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=NN1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN3O2/c1-13-9-21(25-24-13)26-14(2)10-16-11-19(27-3)20(28-4)12-18(16)22(26)15-5-7-17(23)8-6-15/h5-12H,1-4H3,(H,24,25)/q+1