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

Systemtic Name: 1-(4-chlorophenyl)-3-ethyl-2-oxidanyl-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 1-(4-chlorophenyl)-3-ethyl-2-hydroxy-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 1-(4-chlorophenyl)-3-ethyl-2-hydroxy-7-phenyl-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 1-(4-chlorophenyl)-3-ethyl-2-hydroxy-7-phenylpyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 1-(4-chlorophenyl)-3-ethyl-2-hydroxy-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C21H17ClN3O2+ MolecularWeight: 378.83158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCC1=C(N(C2=[N+](C1=O)N=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H16ClN3O2/c1-2-17-20(26)24(16-10-8-15(22)9-11-16)19-13-12-18(23-25(19)21(17)27)14-6-4-3-5-7-14/h3-13H,2H2,1H3/p+1