3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-1,2,3-benzotriazin-4-one Formula: C18H19N6O2+ MolecularWeight: 351.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N6O2/c25-17(13-24-18(26)14-5-1-2-6-15(14)20-21-24)23-11-9-22(10-12-23)16-7-3-4-8-19-16/h1-8H,9-13H2/p+1