3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-18-13-10-11(14(16)17)4-5-12(13)19-9-8-15-6-2-3-7-15/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)