N-(2-chlorophenyl)-2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[3-(p-tolyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[3-(4-methylphenyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[3-(p-tolyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O2/c1-17-6-8-18(9-7-17)10-11-22(28)26-14-12-25(13-15-26)16-21(27)24-20-5-3-2-4-19(20)23/h2-9H,10-16H2,1H3,(H,24,27)/p+1