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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(3-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C26H18ClN4O5+ MolecularWeight: 501.89792

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H17ClN4O5/c1-15-21(25(33)31(28-15)18-7-5-6-16(27)12-18)22-23(29-10-3-2-4-11-29)26(34)30(24(22)32)17-8-9-19-20(13-17)36-14-35-19/h2-13H,14H2,1H3/p+1