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

Systemtic Name: 7-chloranyl-2-oxidanyl-1-phenyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-7-chloro-2-hydroxy-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 7-chloro-2-hydroxy-1-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-7-chloro-2-hydroxy-1-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-7-chloro-2-hydroxy-1-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C20H15ClN3O2+ MolecularWeight: 364.805

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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)Cl)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O2/c21-17-11-12-18-23(15-9-5-2-6-10-15)19(25)16(20(26)24(18)22-17)13-14-7-3-1-4-8-14/h1-12H,13H2/p+1