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

Systemtic Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-thioxo-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-sulfanylidene-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-thioxo-1-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]nicotinonitrile Formula: C19H22F3N5S+2 MolecularWeight: 409.47169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C#N)C

InChI

InChI=1S/C19H20F3N5S/c1-13-9-14(2)27(18(28)16(13)10-23)12-25-5-7-26(8-6-25)17-4-3-15(11-24-17)19(20,21)22/h3-4,9,11H,5-8,12H2,1-2H3/p+2