2-azanyl-6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3,5-dicarbonitrile Formula: C17H15ClF3N7+2 MolecularWeight: 409.79611

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C3=[NH+]C(=C(C=C3C#N)C#N)N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C3=[NH+]C(=C(C=C3C#N)C#N)N

InChI

InChI=1S/C17H13ClF3N7/c18-13-6-12(17(19,20)21)9-25-16(13)28-3-1-27(2-4-28)15-11(8-23)5-10(7-22)14(24)26-15/h5-6,9H,1-4H2,(H2,24,26)/p+2