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

Systemtic Name: 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C19H20F3N4+ MolecularWeight: 361.38411

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H19F3N4/c20-19(21,22)15-5-6-18(24-12-15)26-9-7-25(8-10-26)13-14-11-23-17-4-2-1-3-16(14)17/h1-6,11-12,23H,7-10,13H2/p+1