N-[4-(2-chloranylphenoxy)phenyl]-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(2-chloranylphenoxy)phenyl]-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(2-chlorophenoxy)phenyl]-2-(4-isobutyrylpiperazin-1-ium-1-yl)acetamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O3/c1-16(2)22(28)26-13-11-25(12-14-26)15-21(27)24-17-7-9-18(10-8-17)29-20-6-4-3-5-19(20)23/h3-10,16H,11-15H2,1-2H3,(H,24,27)/p+1