5-(thiomorpholin-4-ium-4-ylmethyl)furan-2-carboxylate

Systemtic Name: 5-(thiomorpholin-4-ium-4-ylmethyl)furan-2-carboxylate Openeye Name: 5-(thiomorpholin-4-ium-4-ylmethyl)furan-2-carboxylate CAS Name: 5-(4-thiomorpholin-4-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-(thiomorpholin-4-ium-4-ylmethyl)furan-2-carboxylate Traditional Name: 5-(thiomorpholin-4-ium-4-ylmethyl)-2-furoate Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C10H13NO3S/c12-10(13)9-2-1-8(14-9)7-11-3-5-15-6-4-11/h1-2H,3-7H2,(H,12,13)