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

Systemtic Name: N-(4-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chlorophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Cl)CC3=CSC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Cl)CC3=CSC=C3

InChI

InChI=1S/C17H20ClN3OS/c18-15-1-3-16(4-2-15)19-17(22)12-21-8-6-20(7-9-21)11-14-5-10-23-13-14/h1-5,10,13H,6-9,11-12H2,(H,19,22)/p+1