3-[3-[2-hydroxyethyl(methyl)azaniumyl]propoxy]benzoate

Systemtic Name: 3-[3-[2-hydroxyethyl(methyl)azaniumyl]propoxy]benzoate Openeye Name: 3-[3-[2-hydroxyethyl(methyl)ammonio]propoxy]benzoate CAS Name: 3-[3-[2-hydroxyethyl(methyl)ammonio]propoxy]benzoate IUPAC Name: 3-[3-[2-hydroxyethyl(methyl)azaniumyl]propoxy]benzoate Traditional Name: 3-[3-[2-hydroxyethyl(methyl)ammonio]propoxy]benzoate Formula: C13H19NO4 MolecularWeight: 253.29426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])CCO

Isomeric SMILES

C[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])CCO

InChI

InChI=1S/C13H19NO4/c1-14(7-8-15)6-3-9-18-12-5-2-4-11(10-12)13(16)17/h2,4-5,10,15H,3,6-9H2,1H3,(H,16,17)