N-(5-chloranyl-2-methoxy-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H20ClF3N3O2+ MolecularWeight: 414.82921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H19ClF3N3O2/c1-28-16-4-3-14(20)10-15(16)25-18(27)12-6-8-26(9-7-12)17-5-2-13(11-24-17)19(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,25,27)/p+1