2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C23H27N5OS+2 MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N5OS/c29-23(28-11-10-19(25-28)18-6-2-1-3-7-18)17-27-14-12-26(13-15-27)16-22-24-20-8-4-5-9-21(20)30-22/h1-9H,10-17H2/p+2