1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethyl]triazole-4-carboxylate CAS Name: 1-[2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethyl]triazole-4-carboxylate Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C=C(N=N2)C(=O)[O-])C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCN2C=C(N=N2)C(=O)[O-])C3=NC=CS3

InChI

InChI=1S/C12H16N6O2S/c19-11(20)10-9-18(15-14-10)7-4-16-2-5-17(6-3-16)12-13-1-8-21-12/h1,8-9H,2-7H2,(H,19,20)