5-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 5-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 5-[4-[[2-(dimethylamino)thiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[4-[[2-(dimethylamino)-5-thiazolyl]methyl]-1-piperazin-4-iumyl]-2-methyl-3-pyridazinone IUPAC Name: 5-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[4-[[2-(dimethylamino)thiazol-5-yl]methyl]piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C15H23N6OS+ MolecularWeight: 335.44772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CN=C(S3)N(C)C

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CN=C(S3)N(C)C

InChI

InChI=1S/C15H22N6OS/c1-18(2)15-16-10-13(23-15)11-20-4-6-21(7-5-20)12-8-14(22)19(3)17-9-12/h8-10H,4-7,11H2,1-3H3/p+1