N,N,1-trimethyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium-4-amine iodide

Systemtic Name: N,N,1-trimethyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium-4-amine iodide Openeye Name: N,N,1-trimethyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium-4-amine iodide CAS Name: N,N,1-trimethyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-4-pyridin-1-iumamine iodide IUPAC Name: N,N,1-trimethyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium-4-amine iodide Traditional Name: dimethyl-[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium-4-yl]amine iodide Formula: C21H20F3IN2 MolecularWeight: 484.29658

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)N(C)C)C3=CC(=CC=C3)C(F)(F)F.[I-]

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)N(C)C)C3=CC(=CC=C3)C(F)(F)F.[I-]

InChI

InChI=1S/C21H20F3N2.HI/c1-25(2)20-18(15-8-5-4-6-9-15)13-26(3)14-19(20)16-10-7-11-17(12-16)21(22,23)24;/h4-14H,1-3H3;1H/q+1;/p-1