(4-methylsulfanylphenyl)methyl-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-[4-(methylthio)benzyl]ammonium Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]C[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H18N2O3S/c1-22-15-8-2-12(3-9-15)10-17-11-16(19)13-4-6-14(7-5-13)18(20)21/h2-9,16-17,19H,10-11H2,1H3/p+1/t16-/m1/s1