4-chloranyl-1,3-diethyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide

Systemtic Name: 4-chloranyl-1,3-diethyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide Openeye Name: 4-chloro-1,3-diethyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide CAS Name: 4-chloro-1,3-diethyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide IUPAC Name: 4-chloro-1,3-diethyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide Traditional Name: 4-chloro-1,3-diethyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide Formula: C16H16ClF3IN MolecularWeight: 441.65762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)C(F)(F)F)Cl.[I-]

Isomeric SMILES

CCC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)C(F)(F)F)Cl.[I-]

InChI

InChI=1S/C16H16ClF3N.HI/c1-3-11-9-21(4-2)10-14(15(11)17)12-6-5-7-13(8-12)16(18,19)20;/h5-10H,3-4H2,1-2H3;1H/q+1;/p-1