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

Systemtic Name: 3-[5-bromanyl-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Openeye Name: 3-[5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate CAS Name: 3-[5-bromo-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]propanoate Traditional Name: 3-[5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]propionate Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)CCC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)CCC(=O)[O-]

InChI

InChI=1S/C15H20BrNO4/c16-13-2-3-14(12(11-13)1-4-15(18)19)21-10-7-17-5-8-20-9-6-17/h2-3,11H,1,4-10H2,(H,18,19)