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

Systemtic Name: 3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-bromo-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-bromo-4-(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)C(=O)[O-])Br

Isomeric SMILES

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

InChI

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