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

Systemtic Name: 1-[4-[4-(4-methylphenyl)phthalazin-2-ium-1-yl]piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-[4-(p-tolyl)phthalazin-2-ium-1-yl]piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-[4-(4-methylphenyl)-1-phthalazin-2-iumyl]-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)phthalazin-2-ium-1-yl]piperazin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[4-[4-(p-tolyl)phthalazin-2-ium-1-yl]piperazino]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C25H31N5O+2 MolecularWeight: 417.54654

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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+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C[NH+]5CCCC5

InChI

InChI=1S/C25H29N5O/c1-19-8-10-20(11-9-19)24-21-6-2-3-7-22(21)25(27-26-24)30-16-14-29(15-17-30)23(31)18-28-12-4-5-13-28/h2-3,6-11H,4-5,12-18H2,1H3/p+2