5-chloranyl-2-fluoranyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 5-chloranyl-2-fluoranyl-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 5-chloro-2-fluoro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 5-chloro-2-fluoro-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 5-chloro-2-fluoro-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 5-chloro-2-fluoro-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]benzamide Formula: C17H18ClFN3O+ MolecularWeight: 334.795723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN3O/c18-13-4-5-15(19)14(9-13)17(23)21-11-12-3-6-16(20-10-12)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23)/p+1