N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C18H20F3N4O2+ MolecularWeight: 381.37221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2/c1-27-14-5-2-4-13(12-14)23-17(26)25-10-8-24(9-11-25)16-15(18(19,20)21)6-3-7-22-16/h2-7,12H,8-11H2,1H3,(H,23,26)/p+1