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

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]butan-1-one Formula: C22H24F3N4O+ MolecularWeight: 417.44737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H23F3N4O/c23-22(24,25)17-8-9-20(27-15-17)28-10-12-29(13-11-28)21(30)7-3-4-16-14-26-19-6-2-1-5-18(16)19/h1-2,5-6,8-9,14-15,26H,3-4,7,10-13H2/p+1