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

Systemtic Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Openeye Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate CAS Name: 3-methoxy-4-[3-(1-pyrrolidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Traditional Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])OCCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])OCCC[NH+]2CCCC2

InChI

InChI=1S/C15H21NO4/c1-19-14-11-12(15(17)18)5-6-13(14)20-10-4-9-16-7-2-3-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)