5-oxidanyl-2-[2-(trimethylazaniumyl)ethyl]benzoate

Systemtic Name: 5-oxidanyl-2-[2-(trimethylazaniumyl)ethyl]benzoate Openeye Name: 5-hydroxy-2-[2-(trimethylammonio)ethyl]benzoate CAS Name: 5-hydroxy-2-[2-(trimethylammonio)ethyl]benzoate IUPAC Name: 5-hydroxy-2-[2-(trimethylazaniumyl)ethyl]benzoate Traditional Name: 5-hydroxy-2-[2-(trimethylammonio)ethyl]benzoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC1=C(C=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCC1=C(C=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c1-13(2,3)7-6-9-4-5-10(14)8-11(9)12(15)16/h4-5,8H,6-7H2,1-3H3,(H-,14,15,16)