1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 2-morpholin-4-ium-4-yl-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 2-morpholin-4-ium-4-yl-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]ethanone Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C[NH+]5CCOCC5

InChI

InChI=1S/C25H29N5O2/c1-19-6-8-20(9-7-19)24-21-4-2-3-5-22(21)25(27-26-24)30-12-10-29(11-13-30)23(31)18-28-14-16-32-17-15-28/h2-9H,10-18H2,1H3/p+1