3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-bromo-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-19-12-9-10(14(17)18)8-11(15)13(12)20-7-6-16-4-2-3-5-16/h8-9H,2-7H2,1H3,(H,17,18)