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

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(o-tolylmethyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-methylbenzyl)piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H24N4O/c1-17-6-2-3-8-19(17)15-23-10-12-24(13-11-23)16-25-21(26)20-9-5-4-7-18(20)14-22-25/h2-9,14H,10-13,15-16H2,1H3/p+1