5-bromanyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 5-bromanyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 5-bromo-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 5-bromo-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 5-bromo-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 5-bromo-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO3/c14-10-3-4-12(11(9-10)13(16)17)18-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2,(H,16,17)