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

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C17H28N4OS+2 MolecularWeight: 336.49542

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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=CS2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C17H26N4OS/c1-14(2)17(3,13-18)19-16(22)12-21-8-6-20(7-9-21)11-15-5-4-10-23-15/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,19,22)/p+2/t17-/m0/s1