[3-fluoranyl-4-[(2S)-4-methylpentan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-[(2S)-4-methylpentan-2-yl]oxy-phenyl]methylazanium Openeye Name: [4-[(1S)-1,3-dimethylbutoxy]-3-fluoro-phenyl]methylammonium CAS Name: [3-fluoro-4-[(2S)-4-methylpentan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-fluoro-4-[(2S)-4-methylpentan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-1,3-dimethylbutoxy]-3-fluoro-benzyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OC1=C(C=C(C=C1)C[NH3+])F

Isomeric SMILES

C[C@@H](CC(C)C)OC1=C(C=C(C=C1)C[NH3+])F

InChI

InChI=1S/C13H20FNO/c1-9(2)6-10(3)16-13-5-4-11(8-15)7-12(13)14/h4-5,7,9-10H,6,8,15H2,1-3H3/p+1/t10-/m0/s1