5,6-dimethyl-3-oxidanylidene-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C19H21F3N5O+ MolecularWeight: 392.39815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C#N

InChI

InChI=1S/C19H20F3N5O/c1-13-14(2)24-27(18(28)17(13)11-23)12-25-6-8-26(9-7-25)16-5-3-4-15(10-16)19(20,21)22/h3-5,10H,6-9,12H2,1-2H3/p+1