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

Systemtic Name: 3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-propyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-1-propyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N4O3/c1-3-12-25-20(27)18(19(22(25)29)24-13-8-5-9-14-24)17-15(2)23-26(21(17)28)16-10-6-4-7-11-16/h4-11,13-14H,3,12H2,1-2H3/p+1