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

Systemtic Name: 2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[3-(4-chlorophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H29ClN3O2+ MolecularWeight: 414.94826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=C(C=C3)Cl

InChI

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