2-(3,4-dimethoxyphenyl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: homoveratryl-[4-(trifluoromethyl)benzyl]ammonium Formula: C18H21F3NO2+ MolecularWeight: 340.36005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC=C(C=C2)C(F)(F)F)OC

InChI

InChI=1S/C18H20F3NO2/c1-23-16-8-5-13(11-17(16)24-2)9-10-22-12-14-3-6-15(7-4-14)18(19,20)21/h3-8,11,22H,9-10,12H2,1-2H3/p+1