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

Systemtic Name: N-[2-(2-methylphenyl)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(o-tolyl)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(2-methylphenyl)ethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methylphenyl)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(o-tolyl)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C21H25F3N3O+ MolecularWeight: 392.43791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O/c1-15-4-2-3-5-16(15)8-11-25-20(28)17-9-12-27(13-10-17)19-7-6-18(14-26-19)21(22,23)24/h2-7,14,17H,8-13H2,1H3,(H,25,28)/p+1