4-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-(4-veratrylpiperazin-4-ium-1-yl)ethyl]-2H-phthalazin-1-one Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C23H26N4O4/c1-30-20-8-7-16(13-21(20)31-2)15-26-9-11-27(12-10-26)22(28)14-19-17-5-3-4-6-18(17)23(29)25-24-19/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,29)/p+1