[(2S)-2-(4-fluoranyl-3-methyl-phenyl)-3-methyl-2-oxidanyl-butyl]-methyl-azanium

Systemtic Name: [(2S)-2-(4-fluoranyl-3-methyl-phenyl)-3-methyl-2-oxidanyl-butyl]-methyl-azanium Openeye Name: [(2S)-2-(4-fluoro-3-methyl-phenyl)-2-hydroxy-3-methyl-butyl]-methyl-ammonium CAS Name: [(2S)-2-(4-fluoro-3-methylphenyl)-2-hydroxy-3-methylbutyl]-methylammonium IUPAC Name: [(2S)-2-(4-fluoro-3-methylphenyl)-2-hydroxy-3-methylbutyl]-methylazanium Traditional Name: [(2S)-2-(4-fluoro-3-methyl-phenyl)-2-hydroxy-3-methyl-butyl]-methyl-ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C[NH2+]C)(C(C)C)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@](C[NH2+]C)(C(C)C)O)F

InChI

InChI=1S/C13H20FNO/c1-9(2)13(16,8-15-4)11-5-6-12(14)10(3)7-11/h5-7,9,15-16H,8H2,1-4H3/p+1/t13-/m0/s1