3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H24N4O3/c28-21(17-27-23(30)20-11-5-4-10-19(20)22(29)24-27)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2,(H,24,29)/p+1/b9-6+