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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]azanium Traditional Name: (4-fluorobenzyl)-homoveratryl-ammonium Formula: C17H21FNO2+ MolecularWeight: 290.352543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FNO2/c1-20-16-8-5-13(11-17(16)21-2)9-10-19-12-14-3-6-15(18)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3/p+1