2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodanylphenyl)ethanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodanylphenyl)ethanamide Openeye Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide CAS Name: 2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-N-(2-iodophenyl)acetamide IUPAC Name: 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide Traditional Name: 2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-(2-iodophenyl)acetamide Formula: C21H23IN3OS+ MolecularWeight: 492.39629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2I)CC3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2I)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H22IN3OS/c22-18-6-2-3-7-19(18)23-21(26)14-25-11-9-24(10-12-25)13-16-15-27-20-8-4-1-5-17(16)20/h1-8,15H,9-14H2,(H,23,26)/p+1