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

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H26N4O2/c1-15(25)16-3-7-18(8-4-16)24-11-9-23(10-12-24)13-19(26)22-20(2,14-21)17-5-6-17/h3-4,7-8,17H,5-6,9-13H2,1-2H3,(H,22,26)/p+1/t20-/m1/s1