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

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O3S/c1-16-7-8-20(17(2)13-16)30(28,29)26-11-9-18(10-12-26)21(27)24-19-14-22(3,4)25-23(5,6)15-19/h7-8,13,18-19,25H,9-12,14-15H2,1-6H3,(H,24,27)/p+1