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

Systemtic Name: 1-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]isatin Formula: C23H21ClN5O3+ MolecularWeight: 450.89754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H20ClN5O3/c24-20-19(14-25-29(22(20)31)16-6-2-1-3-7-16)27-12-10-26(11-13-27)15-28-18-9-5-4-8-17(18)21(30)23(28)32/h1-9,14H,10-13,15H2/p+1