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

Systemtic Name: 3-butyl-1-(4-methylphenyl)-2-oxidanyl-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-butyl-2-hydroxy-7-phenyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 3-butyl-2-hydroxy-1-(4-methylphenyl)-7-phenyl-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-butyl-2-hydroxy-1-(4-methylphenyl)-7-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-butyl-2-hydroxy-7-phenyl-1-(p-tolyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C24H24N3O2+ MolecularWeight: 386.46626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)O

Isomeric SMILES

CCCCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C24H23N3O2/c1-3-4-10-20-23(28)26(19-13-11-17(2)12-14-19)22-16-15-21(25-27(22)24(20)29)18-8-6-5-7-9-18/h5-9,11-16H,3-4,10H2,1-2H3/p+1