1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-piazthiol-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C21H32N5O3S2+ MolecularWeight: 466.64048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C21H31N5O3S2/c1-20(2)12-15(13-21(3,4)25-20)22-19(27)14-8-10-26(11-9-14)31(28,29)17-7-5-6-16-18(17)24-30-23-16/h5-7,14-15,25H,8-13H2,1-4H3,(H,22,27)/p+1