N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[[2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[[2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)CC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H21ClN4O2S/c21-16-4-1-2-5-17(16)23-19(26)13-25-9-7-24(8-10-25)12-15-14-27-20(22-15)18-6-3-11-28-18/h1-6,11,14H,7-10,12-13H2,(H,23,26)/p+1