N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C19H25N4O2+ MolecularWeight: 341.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2/c1-19(14-20,16-7-8-16)21-17(24)13-22-9-11-23(12-10-22)18(25)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,21,24)/p+1/t19-/m0/s1