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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H27N4O3S3+ MolecularWeight: 491.66978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H26N4O3S3/c27-20(16-24-11-13-26(14-12-24)32(28,29)21-6-3-15-30-21)25-9-7-17(8-10-25)22-23-18-4-1-2-5-19(18)31-22/h1-6,15,17H,7-14,16H2/p+1