[4-methoxy-2-methyl-4-oxidanylidene-3-(phenylmethylsulfanyl)butan-2-yl]azanium

Systemtic Name: [4-methoxy-2-methyl-4-oxidanylidene-3-(phenylmethylsulfanyl)butan-2-yl]azanium Openeye Name: (2-benzylsulfanyl-3-methoxy-1,1-dimethyl-3-oxo-propyl)ammonium CAS Name: [4-methoxy-2-methyl-4-oxo-3-(phenylmethylthio)butan-2-yl]ammonium IUPAC Name: (3-benzylsulfanyl-4-methoxy-2-methyl-4-oxobutan-2-yl)azanium Traditional Name: [2-(benzylthio)-3-keto-3-methoxy-1,1-dimethyl-propyl]ammonium Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)SCC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC(C)(C(C(=O)OC)SCC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C13H19NO2S/c1-13(2,14)11(12(15)16-3)17-9-10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/p+1