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

Systemtic Name: 3-[[3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carbonyl]amino]propyl-diethyl-ammonium Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4/c1-5-27(6-2)13-9-12-25-23(29)22-20-10-7-8-11-21(20)24(30)28(26-22)17-14-18(31-3)16-19(15-17)32-4/h7-8,10-11,14-16H,5-6,9,12-13H2,1-4H3,(H,25,29)/p+1