[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[(2,4,6-trimethylphenyl)carbamoyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]azanium Traditional Name: [(1S)-1-(mesitylcarbamoyl)-3-(methylthio)propyl]ammonium Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-9-7-10(2)13(11(3)8-9)16-14(17)12(15)5-6-18-4/h7-8,12H,5-6,15H2,1-4H3,(H,16,17)/p+1/t12-/m0/s1