(3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(1S)-1-(3-fluorophenyl)ethyl]azanium

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)methyl-[(1S)-1-(3-fluorophenyl)ethyl]azanium Openeye Name: [(1S)-1-(3-fluorophenyl)ethyl]-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]ammonium CAS Name: [(1S)-1-(3-fluorophenyl)ethyl]-[(4-hydroxy-3,5-dimethylphenyl)methyl]ammonium IUPAC Name: [(1S)-1-(3-fluorophenyl)ethyl]-[(4-hydroxy-3,5-dimethylphenyl)methyl]azanium Traditional Name: [(1S)-1-(3-fluorophenyl)ethyl]-(4-hydroxy-3,5-dimethyl-benzyl)ammonium Formula: C17H21FNO+ MolecularWeight: 274.353143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH2+]C(C)C2=CC(=CC=C2)F

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH2+][C@@H](C)C2=CC(=CC=C2)F

InChI

InChI=1S/C17H20FNO/c1-11-7-14(8-12(2)17(11)20)10-19-13(3)15-5-4-6-16(18)9-15/h4-9,13,19-20H,10H2,1-3H3/p+1/t13-/m0/s1