[4-fluoranyl-3-(3-methylbutoxymethyl)phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-(3-methylbutoxymethyl)phenyl]methylazanium Openeye Name: [4-fluoro-3-(isopentyloxymethyl)phenyl]methylammonium CAS Name: [4-fluoro-3-(3-methylbutoxymethyl)phenyl]methylammonium IUPAC Name: [4-fluoro-3-(3-methylbutoxymethyl)phenyl]methylazanium Traditional Name: [4-fluoro-3-(isoamoxymethyl)benzyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=C(C=CC(=C1)C[NH3+])F

Isomeric SMILES

CC(C)CCOCC1=C(C=CC(=C1)C[NH3+])F

InChI

InChI=1S/C13H20FNO/c1-10(2)5-6-16-9-12-7-11(8-15)3-4-13(12)14/h3-4,7,10H,5-6,8-9,15H2,1-2H3/p+1