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

Systemtic Name: 3-[[3-(3-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propyl-dipropyl-azanium Openeye Name: 3-[[3-(3-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]propyl-dipropyl-ammonium CAS Name: 3-[[[3-(3-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propyl-dipropylammonium IUPAC Name: 3-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl-dipropylazanium Traditional Name: 3-[[4-keto-3-(3-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=C3)OC

Isomeric SMILES

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

InChI

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