3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C21H25N5O+2 MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23N5O/c27-21-19-10-4-5-11-20(19)22-23-26(21)17-25-15-13-24(14-16-25)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2/p+2/b9-6+