[(1S)-2-[[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[1-(3,4-dimethylphenyl)-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[1-(3,4-dimethylphenyl)-4-oxo-pyridazine-3-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[1-(3,4-dimethylphenyl)-4-oxo-3-pyridazinyl]-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[1-(3,4-dimethylphenyl)-4-oxopyridazine-3-carbonyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[1-(3,4-dimethylphenyl)-4-keto-pyridazine-3-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=NN(C=CC1=O)C2=CC(=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=NN(C=CC1=O)C2=CC(=C(C=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H30N4O2/c1-5-28(6-2)22(20-10-8-7-9-11-20)17-26-25(31)24-23(30)14-15-29(27-24)21-13-12-18(3)19(4)16-21/h7-16,22H,5-6,17H2,1-4H3,(H,26,31)/p+1/t22-/m1/s1