N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]-5-methyl-isoxazole-3-carboxamide Formula: C17H20ClFN3O2+ MolecularWeight: 352.811003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H19ClFN3O2/c1-11-9-16(21-24-11)17(23)20-12-5-7-22(8-6-12)10-13-14(18)3-2-4-15(13)19/h2-4,9,12H,5-8,10H2,1H3,(H,20,23)/p+1