2-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C20H20F3N4O+ MolecularWeight: 389.39421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H19F3N4O/c21-20(22,23)15-5-6-18(25-13-15)26-7-9-27(10-8-26)19(28)11-14-12-24-17-4-2-1-3-16(14)17/h1-6,12-13,24H,7-11H2/p+1