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

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: 3-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 3-(4-morpholin-4-iumylmethyl)benzoate IUPAC Name: 3-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)benzoate Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8H,4-7,9H2,(H,14,15)