(3S)-1-[(4-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-cyano-2-fluoranyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-cyano-2-fluoro-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-cyano-2-fluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-cyano-2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-cyano-2-fluoro-benzyl)piperidin-1-ium-3-carboxamide Formula: C14H17FN3O+ MolecularWeight: 262.302683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=C(C=C2)C#N)F)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=C(C=C2)C#N)F)C(=O)N

InChI

InChI=1S/C14H16FN3O/c15-13-6-10(7-16)3-4-11(13)8-18-5-1-2-12(9-18)14(17)19/h3-4,6,12H,1-2,5,8-9H2,(H2,17,19)/p+1/t12-/m0/s1