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

Systemtic Name: 2-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[3-(3-chloro-4-methylphenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(3-chloro-4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-17-3-8-20(9-4-17)25-22(28)16-26-11-13-27(14-12-26)23(29)10-7-19-6-5-18(2)21(24)15-19/h3-6,8-9,15H,7,10-14,16H2,1-2H3,(H,25,28)/p+1