2-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 2-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-(2-methoxyethyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]benzoate Formula: C14H20N2O3 MolecularWeight: 264.3202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

COCC[NH+]1CCN(CC1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-19-11-10-15-6-8-16(9-7-15)13-5-3-2-4-12(13)14(17)18/h2-5H,6-11H2,1H3,(H,17,18)