[(1R,2S)-1-(4-fluoranyl-3-methyl-phenyl)-4-methyl-1-oxidanyl-pentan-2-yl]azanium

Systemtic Name: [(1R,2S)-1-(4-fluoranyl-3-methyl-phenyl)-4-methyl-1-oxidanyl-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(R)-(4-fluoro-3-methyl-phenyl)-hydroxy-methyl]-3-methyl-butyl]ammonium CAS Name: [(1R,2S)-1-(4-fluoro-3-methylphenyl)-1-hydroxy-4-methylpentan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-(4-fluoro-3-methylphenyl)-1-hydroxy-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1-[(R)-(4-fluoro-3-methyl-phenyl)-hydroxy-methyl]-3-methyl-butyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H]([C@H](CC(C)C)[NH3+])O)F

InChI

InChI=1S/C13H20FNO/c1-8(2)6-12(15)13(16)10-4-5-11(14)9(3)7-10/h4-5,7-8,12-13,16H,6,15H2,1-3H3/p+1/t12-,13+/m0/s1