1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone chloride

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone chloride Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethanone chloride CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone chloride IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethanone chloride Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethanone chloride Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC=CS3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC=CS3.[Cl-]

InChI

InChI=1S/C17H20N2OS.ClH/c20-17(13-16-7-4-12-21-16)19-10-8-18(9-11-19)14-15-5-2-1-3-6-15;/h1-7,12H,8-11,13-14H2;1H