1-(4-chlorophenyl)-4-oxidanyl-7-phenyl-3-(phenylmethyl)-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one

Systemtic Name: 1-(4-chlorophenyl)-4-oxidanyl-7-phenyl-3-(phenylmethyl)-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one Openeye Name: 3-benzyl-1-(4-chlorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one CAS Name: 1-(4-chlorophenyl)-4-hydroxy-7-phenyl-3-(phenylmethyl)-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one IUPAC Name: 3-benzyl-1-(4-chlorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one Traditional Name: 3-benzyl-1-(4-chlorophenyl)-4-hydroxy-7-phenyl-1H-pyrimido[1,2-b]pyridazine-1,5-diium-2-one Formula: C26H20ClN3O2+2 MolecularWeight: 441.9089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C([N+]3=C(C=CC(=N3)C4=CC=CC=C4)[NH+](C2=O)C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C([N+]3=C(C=CC(=N3)C4=CC=CC=C4)[NH+](C2=O)C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C26H18ClN3O2/c27-20-11-13-21(14-12-20)29-24-16-15-23(19-9-5-2-6-10-19)28-30(24)26(32)22(25(29)31)17-18-7-3-1-4-8-18/h1-16H,17H2/p+2