1-(4-chlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-chlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(4-chlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]butane-1,4-dione Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClN2O2/c24-21-10-8-20(9-11-21)22(27)12-13-23(28)26-17-15-25(16-18-26)14-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2/p+1/b7-4+