2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-1H-pyridazine-3,6-dione CAS Name: 2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-1H-pyridazine-3,6-quinone Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c24-17-8-9-18(25)23(20-17)15-19(26)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9H,10-15H2,(H,20,24)/p+1/b7-4+