3-(2-morpholin-4-ium-4-ylethoxy)benzoate

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethoxy)benzoate Openeye Name: 3-(2-morpholin-4-ium-4-ylethoxy)benzoate CAS Name: 3-[2-(4-morpholin-4-iumyl)ethoxy]benzoate IUPAC Name: 3-(2-morpholin-4-ium-4-ylethoxy)benzoate Traditional Name: 3-(2-morpholin-4-ium-4-ylethoxy)benzoate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c15-13(16)11-2-1-3-12(10-11)18-9-6-14-4-7-17-8-5-14/h1-3,10H,4-9H2,(H,15,16)