2-[[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C22H29N5O2S2+2 MolecularWeight: 459.62796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H27N5O2S2/c28-31(29,27-10-4-1-5-11-27)18-8-9-21(23-16-18)26-14-12-25(13-15-26)17-22-24-19-6-2-3-7-20(19)30-22/h2-3,6-9,16H,1,4-5,10-15,17H2/p+2