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

Systemtic Name: [(2S)-3-(4-fluoranyl-3-methyl-phenyl)sulfanyl-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(4-fluoro-3-methyl-phenyl)sulfanyl-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[(4-fluoro-3-methylphenyl)thio]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(4-fluoro-3-methylphenyl)sulfanyl-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[(4-fluoro-3-methyl-phenyl)thio]-2-hydroxy-propyl]-methyl-ammonium Formula: C11H17FNOS+ MolecularWeight: 230.322183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16FNOS/c1-8-5-10(3-4-11(8)12)15-7-9(14)6-13-2/h3-5,9,13-14H,6-7H2,1-2H3/p+1/t9-/m0/s1