1-(2-thiomorpholin-4-ium-4-ylethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(2-thiomorpholin-4-ium-4-ylethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(2-thiomorpholin-4-ium-4-ylethyl)triazole-4-carboxylate CAS Name: 1-[2-(4-thiomorpholin-4-iumyl)ethyl]-4-triazolecarboxylate IUPAC Name: 1-(2-thiomorpholin-4-ium-4-ylethyl)triazole-4-carboxylate Traditional Name: 1-(2-thiomorpholin-4-ium-4-ylethyl)triazole-4-carboxylate Formula: C9H14N4O2S MolecularWeight: 242.29806

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1CCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C9H14N4O2S/c14-9(15)8-7-13(11-10-8)2-1-12-3-5-16-6-4-12/h7H,1-6H2,(H,14,15)