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

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-bromo-5-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate CAS Name: 3-[3-bromo-5-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-bromo-5-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]propionate Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCC[NH+]2CCOCC2

InChI

InChI=1S/C16H22BrNO5/c1-21-14-11-12(2-3-15(19)20)10-13(17)16(14)23-9-6-18-4-7-22-8-5-18/h10-11H,2-9H2,1H3,(H,19,20)