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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-thiazole-5-carboxylate Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C11H17N3O2S/c1-3-13-4-6-14(7-5-13)11-12-8(2)9(17-11)10(15)16/h3-7H2,1-2H3,(H,15,16)