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

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(4-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(4-cyanophenyl)sulfonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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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=C(C=C3)C#N)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H32N4O3S/c1-21(2)13-18(14-22(3,4)25-21)24-20(27)17-9-11-26(12-10-17)30(28,29)19-7-5-16(15-23)6-8-19/h5-8,17-18,25H,9-14H2,1-4H3,(H,24,27)/p+1