[3-fluoranyl-4-(2-methylbutan-2-yloxymethyl)phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-(2-methylbutan-2-yloxymethyl)phenyl]methylazanium Openeye Name: [4-(1,1-dimethylpropoxymethyl)-3-fluoro-phenyl]methylammonium CAS Name: [3-fluoro-4-(2-methylbutan-2-yloxymethyl)phenyl]methylammonium IUPAC Name: [3-fluoro-4-(2-methylbutan-2-yloxymethyl)phenyl]methylazanium Traditional Name: [4-(tert-amyloxymethyl)-3-fluoro-benzyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OCC1=C(C=C(C=C1)C[NH3+])F

Isomeric SMILES

CCC(C)(C)OCC1=C(C=C(C=C1)C[NH3+])F

InChI

InChI=1S/C13H20FNO/c1-4-13(2,3)16-9-11-6-5-10(8-15)7-12(11)14/h5-7H,4,8-9,15H2,1-3H3/p+1