3-[[3-(2-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-dipropyl-azanium

Systemtic Name: 3-[[3-(2-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[[3-(2-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[[3-(2-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[3-(2-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl-dipropylazanium Traditional Name: 3-[[4-keto-3-(2-methoxyphenyl)phthalazine-1-carbonyl]amino]propyl-dipropyl-ammonium Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC

Isomeric SMILES

CCC[NH+](CCC)CCCNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3OC

InChI

InChI=1S/C25H32N4O3/c1-4-16-28(17-5-2)18-10-15-26-24(30)23-19-11-6-7-12-20(19)25(31)29(27-23)21-13-8-9-14-22(21)32-3/h6-9,11-14H,4-5,10,15-18H2,1-3H3,(H,26,30)/p+1