3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C17H20BrN4OS2+ MolecularWeight: 440.4009

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN4OS2/c18-15-2-1-14(25-15)12-22-8-6-21(7-9-22)5-3-16(23)20-17-13(11-19)4-10-24-17/h1-2,4,10H,3,5-9,12H2,(H,20,23)/p+1