(3-methyl-3-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)azanium

Systemtic Name: (3-methyl-3-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl)azanium Openeye Name: [2-methyl-2-methylsulfanyl-1-(phenylcarbamoyl)propyl]ammonium CAS Name: [1-anilino-3-methyl-3-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: (1-anilino-3-methyl-3-methylsulfanyl-1-oxobutan-2-yl)azanium Traditional Name: [2-methyl-2-(methylthio)-1-(phenylcarbamoyl)propyl]ammonium Formula: C12H19N2OS+ MolecularWeight: 239.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC1=CC=CC=C1)[NH3+])SC

Isomeric SMILES

CC(C)(C(C(=O)NC1=CC=CC=C1)[NH3+])SC

InChI

InChI=1S/C12H18N2OS/c1-12(2,16-3)10(13)11(15)14-9-7-5-4-6-8-9/h4-8,10H,13H2,1-3H3,(H,14,15)/p+1