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

Systemtic Name: 1-[4-[4-(4-methylphenyl)phthalazin-2-ium-1-yl]piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 2-piperidin-1-ium-1-yl-1-[4-[4-(p-tolyl)phthalazin-2-ium-1-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)-1-phthalazin-2-iumyl]-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)phthalazin-2-ium-1-yl]piperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 2-piperidin-1-ium-1-yl-1-[4-[4-(p-tolyl)phthalazin-2-ium-1-yl]piperazino]ethanone Formula: C26H33N5O+2 MolecularWeight: 431.57312

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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)C(=O)C[NH+]5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C[NH+]5CCCCC5

InChI

InChI=1S/C26H31N5O/c1-20-9-11-21(12-10-20)25-22-7-3-4-8-23(22)26(28-27-25)31-17-15-30(16-18-31)24(32)19-29-13-5-2-6-14-29/h3-4,7-12H,2,5-6,13-19H2,1H3/p+2