[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [(2R)-1-amino-1-oxopropan-2-yl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [(1R)-2-amino-2-keto-1-methyl-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+](C)CC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

C[C@H](C(=O)N)[NH+](C)CC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C13H19N3O2S/c1-9(13(14)18)16(2)8-12(17)15-10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H2,14,18)(H,15,17)/p+1/t9-/m1/s1