3-azaniumylpropyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 3-azaniumylpropyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 3-azaniumylpropyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 3-ammoniopropyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 3-azaniumylpropyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 3-ammoniopropyl-methyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C12H19F3N2+2 MolecularWeight: 248.28787

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC[NH3+])CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

C[NH+](CCC[NH3+])CC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C12H17F3N2/c1-17(7-3-6-16)9-10-4-2-5-11(8-10)12(13,14)15/h2,4-5,8H,3,6-7,9,16H2,1H3/p+2