tributyl-[[2-chloranyl-5-(trifluoromethyl)phenyl]methyl]azanium chloride

Systemtic Name: tributyl-[[2-chloranyl-5-(trifluoromethyl)phenyl]methyl]azanium chloride Openeye Name: tributyl-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]ammonium chloride CAS Name: tributyl-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]ammonium chloride IUPAC Name: tributyl-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]azanium chloride Traditional Name: tributyl-[2-chloro-5-(trifluoromethyl)benzyl]ammonium chloride Formula: C20H32Cl2F3N MolecularWeight: 414.37599

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=C(C=CC(=C1)C(F)(F)F)Cl.[Cl-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=C(C=CC(=C1)C(F)(F)F)Cl.[Cl-]

InChI

InChI=1S/C20H32ClF3N.ClH/c1-4-7-12-25(13-8-5-2,14-9-6-3)16-17-15-18(20(22,23)24)10-11-19(17)21;/h10-11,15H,4-9,12-14,16H2,1-3H3;1H/q+1;/p-1