2,6-bis(fluoranyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 2,6-difluoro-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 2,6-difluoro-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2,6-difluoro-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 2,6-difluoro-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C17H18F2N3O+ MolecularWeight: 318.341126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3=C(C=CC=C3F)F

InChI

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