2-[4-[8-chloranyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[8-chloranyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[8-chloro-2-(trifluoromethyl)-4-quinolyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[8-chloro-2-(trifluoromethyl)-4-quinolinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[8-chloro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[8-chloro-2-(trifluoromethyl)-4-quinolyl]piperazin-1-ium-1-yl]ethanol Formula: C16H18ClF3N3O+ MolecularWeight: 360.78183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=NC3=C2C=CC=C3Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=NC3=C2C=CC=C3Cl)C(F)(F)F

InChI

InChI=1S/C16H17ClF3N3O/c17-12-3-1-2-11-13(10-14(16(18,19)20)21-15(11)12)23-6-4-22(5-7-23)8-9-24/h1-3,10,24H,4-9H2/p+1