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

Systemtic Name: 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Openeye Name: 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide CAS Name: 2-(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Traditional Name: 2-pyrrolidino-N-[3-(trifluoromethyl)phenyl]pyridin-1-ium-3-carboxamide Formula: C17H17F3N3O+ MolecularWeight: 336.33159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O/c18-17(19,20)12-5-3-6-13(11-12)22-16(24)14-7-4-8-21-15(14)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H,22,24)/p+1