3-[3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-bromo-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-bromo-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3/c16-13-11-12(4-6-15(18)19)3-5-14(13)20-10-9-17-7-1-2-8-17/h3,5,11H,1-2,4,6-10H2,(H,18,19)