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

Systemtic Name: 6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1-(4-nitrophenyl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1-(4-nitrophenyl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1-(4-nitrophenyl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1-(4-nitrophenyl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)-1-(4-nitrophenyl)isoquinolin-2-ium Formula: C22H21N4O4+ MolecularWeight: 405.42654

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N4O4/c1-13-9-21(24-23-13)25-14(2)10-16-11-19(29-3)20(30-4)12-18(16)22(25)15-5-7-17(8-6-15)26(27)28/h5-12H,1-4H3,(H,23,24)/q+1