4,6-dimethyl-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-[[3-(trifluoromethyl)benzyl]amino]pyridin-1-ium-3-carbonitrile Formula: C16H14F3N4O2+ MolecularWeight: 351.30317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC(=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H13F3N4O2/c1-9-13(7-20)15(22-10(2)14(9)23(24)25)21-8-11-4-3-5-12(6-11)16(17,18)19/h3-6H,8H2,1-2H3,(H,21,22)/p+1