4-[[2-(2-hydroxyethyloxy)ethylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[2-(2-hydroxyethyloxy)ethylazaniumyl]methyl]benzoate Openeye Name: 4-[[2-(2-hydroxyethoxy)ethylammonio]methyl]benzoate CAS Name: 4-[[2-(2-hydroxyethoxy)ethylammonio]methyl]benzoate IUPAC Name: 4-[[2-(2-hydroxyethoxy)ethylazaniumyl]methyl]benzoate Traditional Name: 4-[[2-(2-hydroxyethoxy)ethylammonio]methyl]benzoate Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCOCCO)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCOCCO)C(=O)[O-]

InChI

InChI=1S/C12H17NO4/c14-6-8-17-7-5-13-9-10-1-3-11(4-2-10)12(15)16/h1-4,13-14H,5-9H2,(H,15,16)