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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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