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

Systemtic Name: 2-[[3-(3-methoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl-dipropyl-azanium Openeye Name: 2-[[3-(3-methoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]ethyl-dipropyl-ammonium CAS Name: 2-[[[3-(3-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]ethyl-dipropylammonium IUPAC Name: 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl-dipropylazanium Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)phthalazine-1-carbonyl]amino]ethyl-dipropyl-ammonium Formula: C24H31N4O3+ MolecularWeight: 423.52794

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-4-14-27(15-5-2)16-13-25-23(29)22-20-11-6-7-12-21(20)24(30)28(26-22)18-9-8-10-19(17-18)31-3/h6-12,17H,4-5,13-16H2,1-3H3,(H,25,29)/p+1