(3S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-chloranyl-2-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-chloro-2-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-chloro-2-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-chloro-2-(trifluoromethyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C13H15ClF3N2O+ MolecularWeight: 307.71921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClF3N2O/c14-9-3-4-11(10(6-9)13(15,16)17)19-12(20)8-2-1-5-18-7-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20)/p+1/t8-/m0/s1