2-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C16H20F3N3O+2 MolecularWeight: 327.34471

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O/c17-16(18,19)15-11-14(12-3-1-2-4-13(12)20-15)22-7-5-21(6-8-22)9-10-23/h1-4,11,23H,5-10H2/p+2