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

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C21H25F3N3O2+ MolecularWeight: 408.43731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2/c1-15-3-2-4-18(13-15)29-12-9-25-20(28)16-7-10-27(11-8-16)19-6-5-17(14-26-19)21(22,23)24/h2-6,13-14,16H,7-12H2,1H3,(H,25,28)/p+1