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

Systemtic Name: 2-pyrrolidin-1-yl-N-[4-(trifluoromethyloxy)phenyl]pyridin-1-ium-3-carboxamide Openeye Name: 2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-1-ium-3-carboxamide CAS Name: 2-(1-pyrrolidinyl)-N-[4-(trifluoromethoxy)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-1-ium-3-carboxamide Traditional Name: 2-pyrrolidino-N-[4-(trifluoromethoxy)phenyl]pyridin-1-ium-3-carboxamide Formula: C17H17F3N3O2+ MolecularWeight: 352.33099

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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)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O2/c18-17(19,20)25-13-7-5-12(6-8-13)22-16(24)14-4-3-9-21-15(14)23-10-1-2-11-23/h3-9H,1-2,10-11H2,(H,22,24)/p+1