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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2-thiophen-3-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2-thiophen-3-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[2-(3-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C18H21ClN3O2S+ MolecularWeight: 378.89624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)CC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)CC3=CSC=C3

InChI

InChI=1S/C18H20ClN3O2S/c19-15-3-1-2-4-16(15)20-17(23)12-21-6-8-22(9-7-21)18(24)11-14-5-10-25-13-14/h1-5,10,13H,6-9,11-12H2,(H,20,23)/p+1