2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C18H19BrClN4OS+ MolecularWeight: 454.79166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)C#N)CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)Cl)C#N)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H18BrClN4OS/c19-17-4-3-15(26-17)11-23-5-7-24(8-6-23)12-18(25)22-16-9-14(20)2-1-13(16)10-21/h1-4,9H,5-8,11-12H2,(H,22,25)/p+1