4,5-di(pyrazol-1-yl)-2-pyridin-1-ium-1-yl-cyclopent-4-ene-1,3-dione

Systemtic Name: 4,5-di(pyrazol-1-yl)-2-pyridin-1-ium-1-yl-cyclopent-4-ene-1,3-dione Openeye Name: 4,5-di(pyrazol-1-yl)-2-pyridin-1-ium-1-yl-cyclopent-4-ene-1,3-dione CAS Name: 4,5-bis(1-pyrazolyl)-2-(1-pyridin-1-iumyl)cyclopent-4-ene-1,3-dione IUPAC Name: 4,5-di(pyrazol-1-yl)-2-pyridin-1-ium-1-ylcyclopent-4-ene-1,3-dione Traditional Name: 4,5-di(pyrazol-1-yl)-2-pyridin-1-ium-1-yl-cyclopent-4-ene-1,3-quinone Formula: C16H12N5O2+ MolecularWeight: 306.29878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(=O)C(=C(C2=O)N3C=CC=N3)N4C=CC=N4

Isomeric SMILES

C1=CC=[N+](C=C1)C2C(=O)C(=C(C2=O)N3C=CC=N3)N4C=CC=N4

InChI

InChI=1S/C16H12N5O2/c22-15-12(20-10-4-6-17-20)13(21-11-5-7-18-21)16(23)14(15)19-8-2-1-3-9-19/h1-11,14H/q+1