2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C17H27BrN4OS+2 MolecularWeight: 415.39148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C17H25BrN4OS/c1-13(2)17(3,12-19)20-16(23)11-22-8-6-21(7-9-22)10-14-4-5-15(18)24-14/h4-5,13H,6-11H2,1-3H3,(H,20,23)/p+2/t17-/m0/s1