2-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Formula: C16H13F6N4+ MolecularWeight: 375.291639

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=[NH+]C=C1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

CN(C)C1=C(C(=[NH+]C=C1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C16H12F6N4/c1-26(2)13-3-4-24-14(12(13)8-23)25-11-6-9(15(17,18)19)5-10(7-11)16(20,21)22/h3-7H,1-2H3,(H,24,25)/p+1