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

Systemtic Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Openeye Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-pyrazol-5-yl)isoquinolin-2-ium CAS Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-pyrazol-5-yl)isoquinolin-2-ium IUPAC Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Traditional Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Formula: C21H19ClN3O2+ MolecularWeight: 380.84746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=NN3)C4=CC=C(C=C4)Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=NN3)C4=CC=C(C=C4)Cl)OC)OC

InChI

InChI=1S/C21H19ClN3O2/c1-13-10-15-11-18(26-2)19(27-3)12-17(15)21(14-4-6-16(22)7-5-14)25(13)20-8-9-23-24-20/h4-12H,1-3H3,(H,23,24)/q+1