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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(4-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H22ClN4O5+ MolecularWeight: 529.95108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+]6=CC=CC=C6

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+]6=CC=CC=C6

InChI

InChI=1S/C28H21ClN4O5/c1-2-6-20-23(27(35)33(30-20)18-9-7-17(29)8-10-18)24-25(31-13-4-3-5-14-31)28(36)32(26(24)34)19-11-12-21-22(15-19)38-16-37-21/h3-5,7-15H,2,6,16H2,1H3/p+1