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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-veratryl-isonipecotamide Formula: C21H25F3N3O3+ MolecularWeight: 424.43671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H24F3N3O3/c1-29-17-5-3-14(11-18(17)30-2)12-26-20(28)15-7-9-27(10-8-15)19-6-4-16(13-25-19)21(22,23)24/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,26,28)/p+1