2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C19H26ClN6OS+ MolecularWeight: 421.96734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H25ClN6OS/c1-23(2)9-8-21-19(28)25-12-10-24(11-13-25)16-14-22-26(18(27)17(16)20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,28)/p+1