N-(3-chloranyl-4-cyano-phenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(4-isovalerylpiperazin-1-ium-1-yl)acetamide Formula: C18H24ClN4O2+ MolecularWeight: 363.86176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H23ClN4O2/c1-13(2)9-18(25)23-7-5-22(6-8-23)12-17(24)21-15-4-3-14(11-20)16(19)10-15/h3-4,10,13H,5-9,12H2,1-2H3,(H,21,24)/p+1