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

Systemtic Name: 3-[5-bromanyl-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[5-bromo-3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C17H24BrNO4 MolecularWeight: 386.28076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)CCC(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)CCC(=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C17H24BrNO4/c1-22-15-12-14(18)11-13(5-6-16(20)21)17(15)23-10-9-19-7-3-2-4-8-19/h11-12H,2-10H2,1H3,(H,20,21)