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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CC[NH+](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