3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4O

InChI

InChI=1S/C18H19N5O2/c24-17-8-4-3-7-16(17)22-11-9-21(10-12-22)13-23-18(25)14-5-1-2-6-15(14)19-20-23/h1-8,24H,9-13H2/p+1