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

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

Systemtic Name:2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide
Openeye Name:2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CAS Name:2-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC Name:2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Traditional Name:2-[4-(benzothiophen-3-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Formula: C22H23F3N3OS+
MolecularWeight: 434.49773
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)CC3=CSC4=CC=CC=C43


Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)CC3=CSC4=CC=CC=C43


InChI

InChI=1S/C22H22F3N3OS/c23-22(24,25)18-6-2-3-7-19(18)26-21(29)14-28-11-9-27(10-12-28)13-16-15-30-20-8-4-1-5-17(16)20/h1-8,15H,9-14H2,(H,26,29)/p+1


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