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

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,3-benzotriazin-4-one Formula: C17H19N6O+ MolecularWeight: 323.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18N6O/c24-17-14-5-1-2-6-15(14)19-20-23(17)13-21-9-11-22(12-10-21)16-7-3-4-8-18-16/h1-8H,9-13H2/p+1