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

Systemtic Name: 2-oxidanyl-1,7-diphenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-2-hydroxy-1,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 2-hydroxy-1,7-diphenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-2-hydroxy-1,7-diphenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-2-hydroxy-1,7-diphenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C26H20N3O2+ MolecularWeight: 406.4559

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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=CC=C5)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=CC=C5)O

InChI

InChI=1S/C26H19N3O2/c30-25-22(18-19-10-4-1-5-11-19)26(31)29-24(28(25)21-14-8-3-9-15-21)17-16-23(27-29)20-12-6-2-7-13-20/h1-17H,18H2/p+1