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

Systemtic Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-(1H-pyrazol-5-yl)isoquinolin-2-ium Formula: C21H19N4O4+ MolecularWeight: 391.39996

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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)[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N4O4/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)21(24(13)20-8-9-22-23-20)14-4-6-16(7-5-14)25(26)27/h4-12H,1-3H3,(H,22,23)/q+1