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

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(4-chlorophenoxy)-2-methyl-propanoyl]piperazin-1-ium-1-yl]-N-phenyl-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=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

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