3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethyl-azanium bromide

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethyl-azanium bromide Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethyl-ammonium bromide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethylammonium bromide IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethylazanium bromide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethyl-ammonium bromide Formula: C17H20BrF6N MolecularWeight: 432.241819

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.[Br-]

InChI

InChI=1S/C17H20F6N.BrH/c1-4-24(5-2,6-3)9-7-8-13-10-14(16(18,19)20)12-15(11-13)17(21,22)23;/h10-12H,4-6,9H2,1-3H3;1H/q+1;/p-1