4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C29H31N4O4+ MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4/c1-36-23-11-13-24(14-12-23)37-20-19-31-15-17-32(18-16-31)29(35)27-25-9-5-6-10-26(25)28(34)33(30-27)21-22-7-3-2-4-8-22/h2-14H,15-21H2,1H3/p+1