3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(2-chlorophenyl)-6-methyl-pyridazin-4-one

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(2-chlorophenyl)-6-methyl-pyridazin-4-one Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(2-chlorophenyl)-6-methyl-pyridazin-4-one CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-(2-chlorophenyl)-6-methyl-4-pyridazinone IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(2-chlorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(2-chlorophenyl)-6-methyl-pyridazin-4-one Formula: C24H23ClN5O2S+ MolecularWeight: 480.98972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22ClN5O2S/c1-16-14-20(31)23(27-30(16)19-8-4-2-6-17(19)25)24(32)29-12-10-28(11-13-29)15-22-26-18-7-3-5-9-21(18)33-22/h2-9,14H,10-13,15H2,1H3/p+1