(2R)-N-[(Z)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-1-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[(Z)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[(Z)-(5-bromo-2-fluoro-phenyl)methyleneamino]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[(Z)-(5-bromo-2-fluoro-benzylidene)amino]-1-methyl-piperidin-1-ium-2-carboxamide Formula: C14H18BrFN3O+ MolecularWeight: 343.214623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1C(=O)NN=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C[NH+]1CCCC[C@@H]1C(=O)N/N=C\C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C14H17BrFN3O/c1-19-7-3-2-4-13(19)14(20)18-17-9-10-8-11(15)5-6-12(10)16/h5-6,8-9,13H,2-4,7H2,1H3,(H,18,20)/p+1/b17-9-/t13-/m1/s1