[(2S)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-methoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(p-anisylcarbamoyl)propyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H20N2O2S/c1-17-11-5-3-10(4-6-11)9-15-13(16)12(14)7-8-18-2/h3-6,12H,7-9,14H2,1-2H3,(H,15,16)/p+1/t12-/m0/s1