3-butyl-1-ethyl-4-iodanyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate

Systemtic Name: 3-butyl-1-ethyl-4-iodanyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate Openeye Name: 3-butyl-1-ethyl-4-iodo-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate CAS Name: 3-butyl-1-ethyl-4-iodo-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate IUPAC Name: 3-butyl-1-ethyl-4-iodo-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate Traditional Name: 3-butyl-1-ethyl-4-iodo-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate Formula: C18H21F3INO4P- MolecularWeight: 530.237081

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)C(F)(F)F)I.[O-]P(=O)([O-])[O-]

Isomeric SMILES

[H+].CCCCC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)C(F)(F)F)I.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H20F3IN.H3O4P/c1-3-5-7-14-11-23(4-2)12-16(17(14)22)13-8-6-9-15(10-13)18(19,20)21;1-5(2,3)4/h6,8-12H,3-5,7H2,1-2H3;(H3,1,2,3,4)/q+1;/p-2