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

Systemtic Name: 3-bromanyl-5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-bromo-5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Formula: C13H15BrClNO3 MolecularWeight: 348.6201

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2C(=O)[O-])Cl)Br

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2C(=O)[O-])Cl)Br

InChI

InChI=1S/C13H15BrClNO3/c14-11-8-9(15)7-10(13(17)18)12(11)19-6-5-16-3-1-2-4-16/h7-8H,1-6H2,(H,17,18)