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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: 4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-veratryl-piperazine-1-carboxamide Formula: C20H24F3N4O3+ MolecularWeight: 425.42477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H23F3N4O3/c1-29-16-5-3-14(11-17(16)30-2)12-25-19(28)27-9-7-26(8-10-27)18-6-4-15(13-24-18)20(21,22)23/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,28)/p+1