1-(4-methylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-tosyl-isonipecotamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C22H35N3O3S/c1-16-6-8-19(9-7-16)29(27,28)25-12-10-17(11-13-25)20(26)23-18-14-21(2,3)24-22(4,5)15-18/h6-9,17-18,24H,10-15H2,1-5H3,(H,23,26)/p+1