N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C24H28N4O3/c1-19(29)20-8-10-21(11-9-20)27-16-14-26(15-17-27)18-24(30)28(13-5-12-25)22-6-3-4-7-23(22)31-2/h3-4,6-11H,5,13-18H2,1-2H3/p+1