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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]phthalazin-1-one Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O/c25-20-19-9-5-4-8-18(19)14-21-24(20)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2/p+1