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

Systemtic Name: N-[2-(4-methylphenoxy)ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-[2-(4-methylphenoxy)ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-[2-(4-methylphenoxy)ethyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-[2-(4-methylphenoxy)ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-[2-(4-methylphenoxy)ethyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C20H24F3N4O2+ MolecularWeight: 409.42537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4O2/c1-15-2-5-17(6-3-15)29-13-8-24-19(28)27-11-9-26(10-12-27)18-7-4-16(14-25-18)20(21,22)23/h2-7,14H,8-13H2,1H3,(H,24,28)/p+1