6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione; methyl sulfate

Systemtic Name: 6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione; methyl sulfate Openeye Name: 6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione; methyl sulfate CAS Name: 6-methoxy-2-(1,2,3,5-tetramethyl-4-pyrazol-2-iumyl)benzo[de]isoquinoline-1,3-dione; methyl sulfate IUPAC Name: 6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-dione; methyl sulfate Traditional Name: 6-methoxy-2-(1,2,3,5-tetramethylpyrazol-2-ium-4-yl)benzo[de]isoquinoline-1,3-quinone; methyl sulfate Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](N1C)C)C)N2C(=O)C3=C4C(=C(C=C3)OC)C=CC=C4C2=O.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=[N+](N1C)C)C)N2C(=O)C3=C4C(=C(C=C3)OC)C=CC=C4C2=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H20N3O3.CH4O4S/c1-11-18(12(2)22(4)21(11)3)23-19(24)14-8-6-7-13-16(26-5)10-9-15(17(13)14)20(23)25;1-5-6(2,3)4/h6-10H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1