1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(4-methylsulfonylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(4-mesylphenyl)isonipecotamide Formula: C19H20ClF3N3O3S+ MolecularWeight: 462.89361

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N3O3S/c1-30(28,29)15-4-2-14(3-5-15)25-18(27)12-6-8-26(9-7-12)17-16(20)10-13(11-24-17)19(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,25,27)/p+1