furan-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: furan-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]methanone chloride Openeye Name: 2-furyl-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]methanone chloride CAS Name: 2-furanyl-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumyl]methanone chloride IUPAC Name: furan-2-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]methanone chloride Traditional Name: 2-furyl-[4-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-yl]methanone chloride Formula: C16H16ClF3N2O2 MolecularWeight: 360.75865

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CO3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CO3.[Cl-]

InChI

InChI=1S/C16H15F3N2O2.ClH/c17-16(18,19)12-3-1-4-13(11-12)20-6-8-21(9-7-20)15(22)14-5-2-10-23-14;/h1-5,10-11H,6-9H2;1H