ethyl 2-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-amino-4-(4-ethylpiperazin-4-ium-1-yl)thiazole-5-carboxylate CAS Name: 2-amino-4-(4-ethyl-1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(4-ethylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carboxylate Traditional Name: 2-amino-4-(4-ethylpiperazin-4-ium-1-yl)thiazole-5-carboxylic acid ethyl ester Formula: C12H21N4O2S+ MolecularWeight: 285.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(SC(=N2)N)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(SC(=N2)N)C(=O)OCC

InChI

InChI=1S/C12H20N4O2S/c1-3-15-5-7-16(8-6-15)10-9(11(17)18-4-2)19-12(13)14-10/h3-8H2,1-2H3,(H2,13,14)/p+1