N'-(3-chloranyl-4-fluoranyl-phenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(3-chloranyl-4-fluoranyl-phenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(3-chloro-4-fluoro-phenyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(3-chloro-4-fluorophenyl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-chloro-4-fluorophenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(3-chloro-4-fluoro-phenyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C17H24ClFN3O2+ MolecularWeight: 356.842763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H23ClFN3O2/c1-11(2)22-7-5-12(6-8-22)10-20-16(23)17(24)21-13-3-4-15(19)14(18)9-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,23)(H,21,24)/p+1