2-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl-dipropyl-azanium

Systemtic Name: 2-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl-dipropyl-azanium Openeye Name: 2-[[3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]ethyl-dipropyl-ammonium CAS Name: 2-[[[3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl-dipropylazanium Traditional Name: 2-[[3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carbonyl]amino]ethyl-dipropyl-ammonium Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCC[NH+](CCC)CCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H32N4O4/c1-5-12-28(13-6-2)14-11-26-24(30)23-21-9-7-8-10-22(21)25(31)29(27-23)18-15-19(32-3)17-20(16-18)33-4/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,26,30)/p+1