N-(3-acetamidophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-(4-isobutyrylpiperazin-1-ium-1-yl)acetamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C18H26N4O3/c1-13(2)18(25)22-9-7-21(8-10-22)12-17(24)20-16-6-4-5-15(11-16)19-14(3)23/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,23)(H,20,24)/p+1