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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H23N4O5+ MolecularWeight: 495.50602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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)C

Isomeric SMILES

CCC1=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)C

InChI

InChI=1S/C28H22N4O5/c1-3-20-23(27(34)32(29-20)18-9-5-4-6-10-18)24-25(30-13-7-8-17(2)15-30)28(35)31(26(24)33)19-11-12-21-22(14-19)37-16-36-21/h4-15H,3,16H2,1-2H3/p+1