1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)phthalazin-2-ium

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)phthalazin-2-ium Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(p-tolyl)phthalazin-2-ium CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(4-methylphenyl)phthalazin-2-ium IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4-methylphenyl)phthalazin-2-ium Traditional Name: 1-(4-piperonylpiperazino)-4-(p-tolyl)phthalazin-2-ium Formula: C27H27N4O2+ MolecularWeight: 439.52888

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H26N4O2/c1-19-6-9-21(10-7-19)26-22-4-2-3-5-23(22)27(29-28-26)31-14-12-30(13-15-31)17-20-8-11-24-25(16-20)33-18-32-24/h2-11,16H,12-15,17-18H2,1H3/p+1