2-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxo-pyridazin-4-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxo-4-pyridazinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-ethoxycarbonyl-1-(4-fluorophenyl)-6-oxopyridazin-4-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-carbethoxy-1-(4-fluorophenyl)-6-keto-pyridazin-4-yl]amino]ethyl-dimethyl-ammonium Formula: C17H22FN4O3+ MolecularWeight: 349.379983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCC[NH+](C)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCC[NH+](C)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN4O3/c1-4-25-17(24)16-14(19-9-10-21(2)3)11-15(23)22(20-16)13-7-5-12(18)6-8-13/h5-8,11,19H,4,9-10H2,1-3H3/p+1