(4-methylsulfanylphenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-[4-(methylthio)benzyl]ammonium Formula: C17H22NOS+ MolecularWeight: 288.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H21NOS/c1-13(17(19)15-6-4-3-5-7-15)18-12-14-8-10-16(20-2)11-9-14/h3-11,13,17-19H,12H2,1-2H3/p+1/t13-,17-/m1/s1