2-(1,3-benzodioxol-5-yl)ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: homopiperonyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C17H17F3NO2+ MolecularWeight: 324.31759

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC[NH2+]CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H16F3NO2/c18-17(19,20)14-3-1-2-13(8-14)10-21-7-6-12-4-5-15-16(9-12)23-11-22-15/h1-5,8-9,21H,6-7,10-11H2/p+1