5-pyrrolidin-1-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-1-ium-2-amine

Systemtic Name: 5-pyrrolidin-1-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-1-ium-2-amine Openeye Name: 5-pyrrolidin-1-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-1-ium-2-amine CAS Name: 5-(1-pyrrolidinylsulfonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridin-1-iumamine IUPAC Name: 5-pyrrolidin-1-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-1-ium-2-amine Traditional Name: (5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-[2-[4-(trifluoromethyl)phenyl]ethyl]amine Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)15-5-3-14(4-6-15)9-10-22-17-8-7-16(13-23-17)27(25,26)24-11-1-2-12-24/h3-8,13H,1-2,9-12H2,(H,22,23)/p+1