2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C18H19ClFN4OS+ MolecularWeight: 393.886063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CS2)C#N)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN4OS/c19-16-9-15(20)2-1-14(16)11-23-4-6-24(7-5-23)12-17(25)22-18-13(10-21)3-8-26-18/h1-3,8-9H,4-7,11-12H2,(H,22,25)/p+1