1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5OS/c1-18-21(19(2)30(27-18)20-8-4-3-5-9-20)16-25(31)29-14-12-28(13-15-29)17-24-26-22-10-6-7-11-23(22)32-24/h3-11H,12-17H2,1-2H3/p+1