heptan-4-yl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: heptan-4-yl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 1-propylbutyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: heptan-4-yl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: heptan-4-yl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 1-propylbutyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C15H23F3N+ MolecularWeight: 274.34503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCCC(CCC)[NH2+]CC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C15H22F3N/c1-3-6-14(7-4-2)19-11-12-8-5-9-13(10-12)15(16,17)18/h5,8-10,14,19H,3-4,6-7,11H2,1-2H3/p+1