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

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-phenyl-4-pyridazinone IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methyl-1-phenyl-pyridazin-4-one Formula: C24H24N5O2S+ MolecularWeight: 446.54466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N5O2S/c1-17-15-20(30)23(26-29(17)18-7-3-2-4-8-18)24(31)28-13-11-27(12-14-28)16-22-25-19-9-5-6-10-21(19)32-22/h2-10,15H,11-14,16H2,1H3/p+1