4-[4-[(trimethylazaniumyl)methyl]phenyl]carbonyloxybenzenesulfonate

Systemtic Name: 4-[4-[(trimethylazaniumyl)methyl]phenyl]carbonyloxybenzenesulfonate Openeye Name: 4-[4-[(trimethylammonio)methyl]benzoyl]oxybenzenesulfonate CAS Name: 4-[oxo-[4-[(trimethylammonio)methyl]phenyl]methoxy]benzenesulfonate IUPAC Name: 4-[4-[(trimethylazaniumyl)methyl]benzoyl]oxybenzenesulfonate Traditional Name: 4-[4-[(trimethylammonio)methyl]benzoyl]oxybesylate Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C17H19NO5S/c1-18(2,3)12-13-4-6-14(7-5-13)17(19)23-15-8-10-16(11-9-15)24(20,21)22/h4-11H,12H2,1-3H3