1-(4-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]phthalazin-3-ium

Systemtic Name: 1-(4-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]phthalazin-3-ium Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(p-tolyl)phthalazin-2-ium CAS Name: 1-(4-methylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]phthalazin-3-ium IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(4-methylphenyl)phthalazin-2-ium Traditional Name: 1-(4-benzylpiperazino)-4-(p-tolyl)phthalazin-2-ium Formula: C26H27N4+ MolecularWeight: 395.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4/c1-20-11-13-22(14-12-20)25-23-9-5-6-10-24(23)26(28-27-25)30-17-15-29(16-18-30)19-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3/p+1