4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-(4-veratrylpiperazin-4-ium-1-carbonyl)phthalazin-1-one Formula: C29H31N4O4+ MolecularWeight: 499.58084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O4/c1-36-25-13-12-22(18-26(25)37-2)19-31-14-16-32(17-15-31)29(35)27-23-10-6-7-11-24(23)28(34)33(30-27)20-21-8-4-3-5-9-21/h3-13,18H,14-17,19-20H2,1-2H3/p+1