[4-fluoranyl-3-[(2,3,5-trimethylphenoxy)methyl]phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-[(2,3,5-trimethylphenoxy)methyl]phenyl]methylazanium Openeye Name: [4-fluoro-3-[(2,3,5-trimethylphenoxy)methyl]phenyl]methylammonium CAS Name: [4-fluoro-3-[(2,3,5-trimethylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [4-fluoro-3-[(2,3,5-trimethylphenoxy)methyl]phenyl]methylazanium Traditional Name: [4-fluoro-3-[(2,3,5-trimethylphenoxy)methyl]benzyl]ammonium Formula: C17H21FNO+ MolecularWeight: 274.353143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC2=C(C=CC(=C2)C[NH3+])F)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC2=C(C=CC(=C2)C[NH3+])F)C)C

InChI

InChI=1S/C17H20FNO/c1-11-6-12(2)13(3)17(7-11)20-10-15-8-14(9-19)4-5-16(15)18/h4-8H,9-10,19H2,1-3H3/p+1