3-[3-bromanyl-5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-5-chloranyl-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-bromo-5-chloro-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-bromo-5-chloro-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C15H19BrClNO3 MolecularWeight: 376.67326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C=C(C=C2CCC(=O)[O-])Cl)Br

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C=C(C=C2CCC(=O)[O-])Cl)Br

InChI

InChI=1S/C15H19BrClNO3/c16-13-10-12(17)9-11(3-4-14(19)20)15(13)21-8-7-18-5-1-2-6-18/h9-10H,1-8H2,(H,19,20)