N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[4-(difluoromethylsulfonyl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[4-(difluoromethylsulfonyl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[4-(difluoromethylsulfonyl)phenyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[4-(difluoromethylsulfonyl)phenyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C17H18F2N3O3S+ MolecularWeight: 382.404926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H17F2N3O3S/c18-17(19)26(24,25)13-7-5-12(6-8-13)21-16(23)14-4-3-9-20-15(14)22-10-1-2-11-22/h3-9,17H,1-2,10-11H2,(H,21,23)/p+1