[(2S)-1-[(2,4-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2,4-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2,4-dimethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2,4-dimethylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2,4-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2,4-dimethylphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(CCSC)[NH3+])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](CCSC)[NH3+])C

InChI

InChI=1S/C13H20N2OS/c1-9-4-5-12(10(2)8-9)15-13(16)11(14)6-7-17-3/h4-5,8,11H,6-7,14H2,1-3H3,(H,15,16)/p+1/t11-/m0/s1