2-[4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)thiazol-5-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-thiazolyl]acetate IUPAC Name: 2-[4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)thiazol-5-yl]acetate Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-19-6-8-20(9-7-19)16-18-15(13(23-16)10-14(21)22)11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H,21,22)