N-oxidanyl-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-oxidanyl-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(pyrimidin-1-ium-1-ylmethyl)-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]sulfonyl]piperidine-4-carbohydroxamic acid CAS Name: N-hydroxy-1-(1-pyrimidin-1-iumylmethyl)-4-[[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-hydroxy-1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide Traditional Name: 1-(pyrimidin-1-ium-1-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]piperidino]sulfonyl-piperidine-4-carbohydroxamic acid Formula: C23H29F3N5O5S+ MolecularWeight: 544.56707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCN(CC3)C[N+]4=CC=CN=C4)C(=O)NO

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3(CCN(CC3)C[N+]4=CC=CN=C4)C(=O)NO

InChI

InChI=1S/C23H28F3N5O5S/c24-23(25,26)18-2-4-19(5-3-18)36-20-6-12-31(13-7-20)37(34,35)22(21(32)28-33)8-14-29(15-9-22)17-30-11-1-10-27-16-30/h1-5,10-11,16,20H,6-9,12-15,17H2,(H-,28,32,33)/p+1