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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-pyridin-1-ium-3-yl-piperidine-1-carboxamide Openeye Name: N-(2,4-difluorophenyl)-2-pyridin-1-ium-3-yl-piperidine-1-carboxamide CAS Name: N-(2,4-difluorophenyl)-2-(3-pyridin-1-iumyl)-1-piperidinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-2-pyridin-1-ium-3-ylpiperidine-1-carboxamide Traditional Name: N-(2,4-difluorophenyl)-2-pyridin-1-ium-3-yl-piperidine-1-carboxamide Formula: C17H18F2N3O+ MolecularWeight: 318.341126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N3O/c18-13-6-7-15(14(19)10-13)21-17(23)22-9-2-1-5-16(22)12-4-3-8-20-11-12/h3-4,6-8,10-11,16H,1-2,5,9H2,(H,21,23)/p+1