3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C22H24N5O2+ MolecularWeight: 390.45826

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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=C4N=N3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H23N5O2/c28-21(17-27-22(29)19-10-4-5-11-20(19)23-24-27)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2/p+1/b9-6+