3-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carbonyl]amino]propyl]-methyl-ammonium Formula: C28H31N4O4+ MolecularWeight: 487.57014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4/c1-31(19-20-10-5-4-6-11-20)15-9-14-29-27(33)26-24-12-7-8-13-25(24)28(34)32(30-26)21-16-22(35-2)18-23(17-21)36-3/h4-8,10-13,16-18H,9,14-15,19H2,1-3H3,(H,29,33)/p+1