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

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C16H18N7O+ MolecularWeight: 324.36042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C4=NC=CC=N4

InChI

InChI=1S/C16H17N7O/c24-15-13-4-1-2-5-14(13)19-20-23(15)12-21-8-10-22(11-9-21)16-17-6-3-7-18-16/h1-7H,8-12H2/p+1