3-[3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-bromo-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C16H22BrNO4 MolecularWeight: 372.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCC[NH+]2CCCC2

InChI

InChI=1S/C16H22BrNO4/c1-21-14-11-12(4-5-15(19)20)10-13(17)16(14)22-9-8-18-6-2-3-7-18/h10-11H,2-9H2,1H3,(H,19,20)