[(1R)-1-cyanoethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1R)-1-cyanoethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1R)-1-cyanoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [(1R)-1-cyanoethyl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [(1R)-1-cyanoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [(1R)-1-cyanoethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-10(8-14)16(2)9-13(17)15-11-6-4-5-7-12(11)18-3/h4-7,10H,9H2,1-3H3,(H,15,17)/p+1/t10-/m1/s1