1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(6-methoxy-3-pyridyl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(6-methoxy-3-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(6-methoxy-3-pyridyl)isonipecotamide Formula: C18H19ClF3N4O2+ MolecularWeight: 415.81727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O2/c1-28-15-3-2-13(10-23-15)25-17(27)11-4-6-26(7-5-11)16-14(19)8-12(9-24-16)18(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,25,27)/p+1