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

Systemtic Name: N-[4-(2-chloranylphenoxy)phenyl]-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(2-chlorophenoxy)phenyl]-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(2-chlorophenoxy)phenyl]-2-[4-(3-methyl-1-oxobutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2-chlorophenoxy)phenyl]-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-(2-chlorophenoxy)phenyl]-2-(4-isovalerylpiperazin-1-ium-1-yl)acetamide Formula: C23H29ClN3O3+ MolecularWeight: 430.94766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN3O3/c1-17(2)15-23(29)27-13-11-26(12-14-27)16-22(28)25-18-7-9-19(10-8-18)30-21-6-4-3-5-20(21)24/h3-10,17H,11-16H2,1-2H3,(H,25,28)/p+1