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

Systemtic Name: N-(1-methylpyrazol-3-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(1-methylpyrazol-3-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(1-methyl-3-pyrazolyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-methylpyrazol-3-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(1-methylpyrazol-3-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C16H19F3N5O+ MolecularWeight: 354.35017

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C=CC(=N1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H18F3N5O/c1-23-7-6-13(22-23)21-15(25)11-4-8-24(9-5-11)14-3-2-12(10-20-14)16(17,18)19/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,21,22,25)/p+1