(3S)-N-(2-chloranyl-4-fluoranyl-phenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-chloranyl-4-fluoranyl-phenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-chloro-4-fluoro-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-chloro-4-fluorophenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-chloro-4-fluoro-phenyl)piperidin-1-ium-3-carboxamide Formula: C12H15ClFN2O+ MolecularWeight: 257.711703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C12H14ClFN2O/c13-10-6-9(14)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/p+1/t8-/m0/s1