2-[2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(1R)-1-(4-ethyl-1-piperazin-4-iumyl)ethyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(1R)-1-(4-ethylpiperazin-4-ium-1-yl)ethyl]thiazol-4-yl]acetate Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C)C2=NC(=CS2)CC(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C)C2=NC(=CS2)CC(=O)[O-]

InChI

InChI=1S/C13H21N3O2S/c1-3-15-4-6-16(7-5-15)10(2)13-14-11(9-19-13)8-12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)/t10-/m1/s1