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

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propan-1-one Formula: C21H22F3N4O+ MolecularWeight: 403.42079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)16-6-7-19(26-14-16)27-9-11-28(12-10-27)20(29)8-5-15-13-25-18-4-2-1-3-17(15)18/h1-4,6-7,13-14,25H,5,8-12H2/p+1