3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-chloro-5-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Formula: C15H20ClNO4 MolecularWeight: 313.7766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Cl)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C15H20ClNO4/c1-2-20-13-10-11(15(18)19)9-12(16)14(13)21-8-7-17-5-3-4-6-17/h9-10H,2-8H2,1H3,(H,18,19)