2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(1R)-1-(4-ethyl-1-piperazin-4-iumyl)ethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-4-methyl-thiazole-5-carboxylate Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O2S/c1-4-15-5-7-16(8-6-15)10(3)12-14-9(2)11(19-12)13(17)18/h10H,4-8H2,1-3H3,(H,17,18)/t10-/m1/s1