2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(4-ethoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(4-ethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-keto-3-p-phenetyl-phthalazine-1-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C21H24N4O3/c1-4-28-16-11-9-15(10-12-16)25-21(27)18-8-6-5-7-17(18)19(23-25)20(26)22-13-14-24(2)3/h5-12H,4,13-14H2,1-3H3,(H,22,26)/p+1