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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O2/c1-22(2,17-8-4-3-5-9-17)21(28)26-14-12-25(13-15-26)16-20(27)24-19-11-7-6-10-18(19)23/h3-11H,12-16H2,1-2H3,(H,24,27)/p+1