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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C28H22N4O5/c1-2-9-20-23(27(34)32(29-20)18-10-5-3-6-11-18)24-25(30-14-7-4-8-15-30)28(35)31(26(24)33)19-12-13-21-22(16-19)37-17-36-21/h3-8,10-16H,2,9,17H2,1H3/p+1