2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C23H27N4O2S2+ MolecularWeight: 455.61608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H26N4O2S2/c28-21(26-11-13-27(14-12-26)23(29)20-6-3-15-30-20)16-25-9-7-17(8-10-25)22-24-18-4-1-2-5-19(18)31-22/h1-6,15,17H,7-14,16H2/p+1