[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-piazthiol-4-ylsulfonyl-4-piperidyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H25N6O3S2+ MolecularWeight: 473.5916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H24N6O3S2/c28-21(26-14-12-25(13-15-26)19-6-1-2-9-22-19)16-7-10-27(11-8-16)32(29,30)18-5-3-4-17-20(18)24-31-23-17/h1-6,9,16H,7-8,10-15H2/p+1