(4-ethoxy-3-methoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C20H23F3N3O3+ MolecularWeight: 410.41013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H22F3N3O3/c1-3-29-16-6-4-14(12-17(16)28-2)19(27)26-10-8-25(9-11-26)18-7-5-15(13-24-18)20(21,22)23/h4-7,12-13H,3,8-11H2,1-2H3/p+1