4-ethoxy-N-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-ethoxy-N-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-ethoxy-N-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-ethoxy-N-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]ethyl]benzamide Formula: C21H26F3N4O2+ MolecularWeight: 423.45195

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O2/c1-2-30-18-6-3-16(4-7-18)20(29)25-9-10-27-11-13-28(14-12-27)19-8-5-17(15-26-19)21(22,23)24/h3-8,15H,2,9-14H2,1H3,(H,25,29)/p+1