methyl-[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(methylamino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)[NH+](C)CC1=CC=C(C=C1)SC

Isomeric SMILES

C[C@H](C(=O)NC)[NH+](C)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H20N2OS/c1-10(13(16)14-2)15(3)9-11-5-7-12(17-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,14,16)/p+1/t10-/m1/s1