[2-(phenylcarbonyl)-5-(trimethylazaniumyl)phenyl]methanesulfonate

Systemtic Name: [2-(phenylcarbonyl)-5-(trimethylazaniumyl)phenyl]methanesulfonate Openeye Name: [2-benzoyl-5-(trimethylammonio)phenyl]methanesulfonate CAS Name: [2-benzoyl-5-(trimethylammonio)phenyl]methanesulfonate IUPAC Name: [2-benzoyl-5-(trimethylazaniumyl)phenyl]methanesulfonate Traditional Name: [2-benzoyl-5-(trimethylammonio)phenyl]methanesulfonate Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)CS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)CS(=O)(=O)[O-]

InChI

InChI=1S/C17H19NO4S/c1-18(2,3)15-9-10-16(14(11-15)12-23(20,21)22)17(19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3