1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C26H19N4O5+ MolecularWeight: 467.45286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+]6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+]6=CC=CC=C6

InChI

InChI=1S/C26H18N4O5/c1-16-21(25(32)30(27-16)17-8-4-2-5-9-17)22-23(28-12-6-3-7-13-28)26(33)29(24(22)31)18-10-11-19-20(14-18)35-15-34-19/h2-14H,15H2,1H3/p+1