N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]propionamide Formula: C20H24ClFN3O+ MolecularWeight: 376.875463

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)CC3=CC=NC=C3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC(=C(C=C2)F)Cl)CC3=CC=NC=C3

InChI

InChI=1S/C20H23ClFN3O/c21-18-13-17(2-3-19(18)22)24-20(26)4-1-15-7-11-25(12-8-15)14-16-5-9-23-10-6-16/h2-3,5-6,9-10,13,15H,1,4,7-8,11-12,14H2,(H,24,26)/p+1