N-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide

Systemtic Name: N-[3-oxidanylidene-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide CAS Name: N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]propyl]benzamide IUPAC Name: N-[3-oxo-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propyl]benzamide Traditional Name: N-[3-keto-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propyl]benzamide Formula: C20H22F3N4O2+ MolecularWeight: 407.40949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21F3N4O2/c21-20(22,23)16-6-7-17(25-14-16)26-10-12-27(13-11-26)18(28)8-9-24-19(29)15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,24,29)/p+1