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

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-1-(p-tolyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-methylphenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-1-(p-tolyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=CC=NN4

Isomeric SMILES

CC1=CC=C(C=C1)C2=[N+](C(=CC3=CC(=C(C=C32)OC)OC)C)C4=CC=NN4

InChI

InChI=1S/C22H22N3O2/c1-14-5-7-16(8-6-14)22-18-13-20(27-4)19(26-3)12-17(18)11-15(2)25(22)21-9-10-23-24-21/h5-13H,1-4H3,(H,23,24)/q+1