1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone Formula: C19H21N2OS2+ MolecularWeight: 357.51284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)CC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)CC4=CSC=C4

InChI

InChI=1S/C19H20N2OS2/c22-19(11-15-5-10-23-13-15)21-8-6-20(7-9-21)12-16-14-24-18-4-2-1-3-17(16)18/h1-5,10,13-14H,6-9,11-12H2/p+1