4-[[4-(6-chloranylpyridazin-3-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole

Systemtic Name: 4-[[4-(6-chloranylpyridazin-3-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Openeye Name: 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)thiazole CAS Name: 4-[[4-(6-chloro-3-pyridazinyl)-1-piperazin-1-iumyl]methyl]-2-(4-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole Traditional Name: 4-[[4-(6-chloropyridazin-3-yl)piperazin-1-ium-1-yl]methyl]-2-(4-methoxyphenyl)thiazole Formula: C19H21ClN5OS+ MolecularWeight: 402.92094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NN=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5OS/c1-26-16-4-2-14(3-5-16)19-21-15(13-27-19)12-24-8-10-25(11-9-24)18-7-6-17(20)22-23-18/h2-7,13H,8-12H2,1H3/p+1