3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanenitrile

Systemtic Name: 3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanenitrile Openeye Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanenitrile CAS Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumylidene]propanenitrile IUPAC Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propanenitrile Traditional Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-ylidene]propionitrile Formula: C13H15ClF3N5+2 MolecularWeight: 333.73991

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(CC#N)N)CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1C[N+](=C(CC#N)N)CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H13ClF3N5/c14-10-7-9(13(15,16)17)8-20-12(10)22-5-3-21(4-6-22)11(19)1-2-18/h7-8,19H,1,3-6H2/p+2