2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-4-carboxylate Openeye Name: 2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-4-carboxylate CAS Name: 2-(1-pyrrolidin-1-iumylmethyl)-4-thiazolecarboxylate IUPAC Name: 2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(pyrrolidin-1-ium-1-ylmethyl)thiazole-4-carboxylate Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC(=CS2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC(=CS2)C(=O)[O-]

InChI

InChI=1S/C9H12N2O2S/c12-9(13)7-6-14-8(10-7)5-11-3-1-2-4-11/h6H,1-5H2,(H,12,13)