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

Systemtic Name: 7-chloranyl-1-(4-chlorophenyl)-2-oxidanyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-7-chloro-1-(4-chlorophenyl)-2-hydroxy-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 7-chloro-1-(4-chlorophenyl)-2-hydroxy-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-7-chloro-1-(4-chlorophenyl)-2-hydroxypyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-7-chloro-1-(4-chlorophenyl)-2-hydroxy-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C20H14Cl2N3O2+ MolecularWeight: 399.25006

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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=C(C=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2N3O2/c21-14-6-8-15(9-7-14)24-18-11-10-17(22)23-25(18)20(27)16(19(24)26)12-13-4-2-1-3-5-13/h1-11H,12H2/p+1