1-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]phthalazine

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]phthalazine Openeye Name: 1-(4-fluorophenyl)-4-(4-isobutylpiperazin-4-ium-1-yl)phthalazine CAS Name: 1-(4-fluorophenyl)-4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]phthalazine IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]phthalazine Traditional Name: 1-(4-fluorophenyl)-4-(4-isobutylpiperazin-4-ium-1-yl)phthalazine Formula: C22H26FN4+ MolecularWeight: 365.467043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C[NH+]1CCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4/c1-16(2)15-26-11-13-27(14-12-26)22-20-6-4-3-5-19(20)21(24-25-22)17-7-9-18(23)10-8-17/h3-10,16H,11-15H2,1-2H3/p+1