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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-thiazol-2-yl-acetamide Formula: C16H20ClN4OS+ MolecularWeight: 351.8742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H19ClN4OS/c17-14-3-1-2-13(10-14)11-20-5-7-21(8-6-20)12-15(22)19-16-18-4-9-23-16/h1-4,9-10H,5-8,11-12H2,(H,18,19,22)/p+1