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

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C18H21F3N6O+2 MolecularWeight: 394.39415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N6O/c1-12-13(2)24-27(17(28)15(12)9-22)11-25-5-7-26(8-6-25)16-4-3-14(10-23-16)18(19,20)21/h3-4,10H,5-8,11H2,1-2H3/p+2