(2R)-N-(3-chloranyl-4-cyano-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-cyano-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-4-cyano-phenyl)propionamide Formula: C16H20ClN4O2+ MolecularWeight: 335.8086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H19ClN4O2/c1-11(20-5-7-21(8-6-20)12(2)22)16(23)19-14-4-3-13(10-18)15(17)9-14/h3-4,9,11H,5-8H2,1-2H3,(H,19,23)/p+1/t11-/m1/s1