N-(2-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(E)-3-phenylacryloyl]piperazin-1-ium-1-yl]acetamide Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c22-18-8-4-5-9-19(18)23-20(26)16-24-12-14-25(15-13-24)21(27)11-10-17-6-2-1-3-7-17/h1-11H,12-16H2,(H,23,26)/p+1/b11-10+