3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 3,5-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH+]2CCCC2)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH+]2CCCC2)C)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-11-9-13(15(17)18)10-12(2)14(11)19-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3,(H,17,18)