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

Systemtic Name: 7-methyl-2-oxidanyl-1-phenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-2-hydroxy-7-methyl-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 2-hydroxy-7-methyl-1-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-2-hydroxy-7-methyl-1-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-2-hydroxy-7-methyl-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+]2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=N[N+]2=C(C=C1)N(C(=C(C2=O)CC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2/c1-15-12-13-19-23(17-10-6-3-7-11-17)20(25)18(21(26)24(19)22-15)14-16-8-4-2-5-9-16/h2-13H,14H2,1H3/p+1