4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate

Systemtic Name: 4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate CAS Name: 4-[3-(1-pyrrolidin-1-iumyl)propoxy]benzoate IUPAC Name: 4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Formula: C14H19NO3 MolecularWeight: 249.30556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c16-14(17)12-4-6-13(7-5-12)18-11-3-10-15-8-1-2-9-15/h4-7H,1-3,8-11H2,(H,16,17)