4-bromanyl-1-methyl-3-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate

Systemtic Name: 4-bromanyl-1-methyl-3-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate Openeye Name: 4-bromo-3-isobutyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate CAS Name: 4-bromo-1-methyl-3-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate IUPAC Name: 4-bromo-1-methyl-3-(2-methylpropyl)-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate Traditional Name: 4-bromo-3-isobutyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium; hydron; phosphate Formula: C17H19BrF3NO4P- MolecularWeight: 469.210031

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC(C)CC1=C(C(=C[N+](=C1)C)C2=CC(=CC=C2)C(F)(F)F)Br.[O-]P(=O)([O-])[O-]

Isomeric SMILES

[H+].CC(C)CC1=C(C(=C[N+](=C1)C)C2=CC(=CC=C2)C(F)(F)F)Br.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C17H18BrF3N.H3O4P/c1-11(2)7-13-9-22(3)10-15(16(13)18)12-5-4-6-14(8-12)17(19,20)21;1-5(2,3)4/h4-6,8-11H,7H2,1-3H3;(H3,1,2,3,4)/q+1;/p-2