N-(3-chlorophenyl)-N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-[4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(3-chlorophenyl)-N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(3-chlorophenyl)-N-[4-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-thiazolyl]acetamide IUPAC Name: N-(3-chlorophenyl)-N-[4-[(3-oxopiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(3-chlorophenyl)-N-[4-[(3-ketopiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C16H18ClN4O2S+ MolecularWeight: 365.85772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H17ClN4O2S/c1-11(22)21(14-4-2-3-12(17)7-14)16-19-13(10-24-16)8-20-6-5-18-15(23)9-20/h2-4,7,10H,5-6,8-9H2,1H3,(H,18,23)/p+1