3-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-benzoate

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-benzoate Openeye Name: 4-hydroxy-3-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-hydroxy-3-(4-morpholin-4-iumylmethyl)benzoate IUPAC Name: 4-hydroxy-3-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-hydroxy-3-(morpholin-4-ium-4-ylmethyl)benzoate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC(=C2)C(=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C12H15NO4/c14-11-2-1-9(12(15)16)7-10(11)8-13-3-5-17-6-4-13/h1-2,7,14H,3-6,8H2,(H,15,16)