3-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C22H21ClN5O3+ MolecularWeight: 438.88684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3OC2=O)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H20ClN5O3/c23-20-18(14-24-28(21(20)29)16-6-2-1-3-7-16)26-12-10-25(11-13-26)15-27-17-8-4-5-9-19(17)31-22(27)30/h1-9,14H,10-13,15H2/p+1