2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=CC=CC=C4O

InChI

InChI=1S/C19H20N4O2/c24-18-8-4-3-7-17(18)22-11-9-21(10-12-22)14-23-19(25)16-6-2-1-5-15(16)13-20-23/h1-8,13,24H,9-12,14H2/p+1