(4-ethanoylphenyl)-(trimethylazaniumyl)methanesulfonate

Systemtic Name: (4-ethanoylphenyl)-(trimethylazaniumyl)methanesulfonate Openeye Name: (4-acetylphenyl)-(trimethylammonio)methanesulfonate CAS Name: (4-acetylphenyl)-(trimethylammonio)methanesulfonate IUPAC Name: (4-acetylphenyl)-(trimethylazaniumyl)methanesulfonate Traditional Name: (4-acetylphenyl)-(trimethylammonio)methanesulfonate Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C([N+](C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C([N+](C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C12H17NO4S/c1-9(14)10-5-7-11(8-6-10)12(13(2,3)4)18(15,16)17/h5-8,12H,1-4H3