1-(4-chlorophenyl)-2-oxidanyl-7-phenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one

Systemtic Name: 1-(4-chlorophenyl)-2-oxidanyl-7-phenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-1-(4-chlorophenyl)-2-hydroxy-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 1-(4-chlorophenyl)-2-hydroxy-7-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-1-(4-chlorophenyl)-2-hydroxy-7-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-1-(4-chlorophenyl)-2-hydroxy-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C26H19ClN3O2+ MolecularWeight: 440.90096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N(C3=[N+](C2=O)N=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N(C3=[N+](C2=O)N=C(C=C3)C4=CC=CC=C4)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+1