4-(thiomorpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzoate Openeye Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-thiomorpholin-4-iumylmethyl)benzoate IUPAC Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(thiomorpholin-4-ium-4-ylmethyl)benzoate Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H15NO2S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)