N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C17H26N4OS+2 MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H24N4OS/c1-17(13-18,14-4-5-14)19-16(22)12-21-8-6-20(7-9-21)11-15-3-2-10-23-15/h2-3,10,14H,4-9,11-12H2,1H3,(H,19,22)/p+2/t17-/m0/s1