8-(4-methylphenyl)-6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-5-one

Systemtic Name: 8-(4-methylphenyl)-6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-5-one Openeye Name: 6-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-(p-tolyl)pyrido[2,3-d]pyridazin-5-one CAS Name: 8-(4-methylphenyl)-6-[(1-oxido-4-pyridin-1-iumyl)methyl]-5-pyrido[2,3-d]pyridazinone IUPAC Name: 8-(4-methylphenyl)-6-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-5-one Traditional Name: 6-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-(p-tolyl)pyrido[2,3-d]pyridazin-5-one Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=C2N=CC=C3)CC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H16N4O2/c1-14-4-6-16(7-5-14)18-19-17(3-2-10-21-19)20(25)24(22-18)13-15-8-11-23(26)12-9-15/h2-12H,13H2,1H3