1-(4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)phthalazine

Systemtic Name: 1-(4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)phthalazine Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(p-tolyl)phthalazine CAS Name: 1-(4-methylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)phthalazine IUPAC Name: 1-(4-methylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)phthalazine Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-4-(p-tolyl)phthalazine Formula: C20H23N4+ MolecularWeight: 319.42342

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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4/c1-15-7-9-16(10-8-15)19-17-5-3-4-6-18(17)20(22-21-19)24-13-11-23(2)12-14-24/h3-10H,11-14H2,1-2H3/p+1