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

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-pyrrol-1-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-pyrrol-1-yl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-6-(1-pyrrolyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-6-pyrrol-1-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-6-pyrrol-1-yl-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H17ClF3N7+2 MolecularWeight: 459.85479

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=[NH+]2)N3C=CC=C3)C#N)C#N)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=[NH+]2)N3C=CC=C3)C#N)C#N)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C21H15ClF3N7/c22-17-10-16(21(23,24)25)13-28-20(17)32-7-5-31(6-8-32)19-15(12-27)9-14(11-26)18(29-19)30-3-1-2-4-30/h1-4,9-10,13H,5-8H2/p+2