1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)isonipecotamide Formula: C20H28ClF3N3O3S+ MolecularWeight: 482.96783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H27ClF3N3O3S/c21-18-5-4-16(14-17(18)20(22,23)24)31(29,30)27-12-6-15(7-13-27)19(28)25-8-3-11-26-9-1-2-10-26/h4-5,14-15H,1-3,6-13H2,(H,25,28)/p+1