3-butan-2-ylsulfanyl-1-ethyl-4-fluoranyl-5-(3-methoxyphenyl)pyridin-1-ium; hydron; phosphate

Systemtic Name: 3-butan-2-ylsulfanyl-1-ethyl-4-fluoranyl-5-(3-methoxyphenyl)pyridin-1-ium; hydron; phosphate Openeye Name: 1-ethyl-4-fluoro-3-(3-methoxyphenyl)-5-sec-butylsulfanyl-pyridin-1-ium; hydron; phosphate CAS Name: 3-(butan-2-ylthio)-1-ethyl-4-fluoro-5-(3-methoxyphenyl)pyridin-1-ium; hydron; phosphate IUPAC Name: 3-butan-2-ylsulfanyl-1-ethyl-4-fluoro-5-(3-methoxyphenyl)pyridin-1-ium; hydron; phosphate Traditional Name: 1-ethyl-4-fluoro-3-(3-methoxyphenyl)-5-(sec-butylthio)pyridin-1-ium; hydron; phosphate Formula: C18H24FNO5PS- MolecularWeight: 416.424024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CCC(C)SC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)OC)F.[O-]P(=O)([O-])[O-]

Isomeric SMILES

[H+].CCC(C)SC1=C(C(=C[N+](=C1)CC)C2=CC(=CC=C2)OC)F.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H23FNOS.H3O4P/c1-5-13(3)22-17-12-20(6-2)11-16(18(17)19)14-8-7-9-15(10-14)21-4;1-5(2,3)4/h7-13H,5-6H2,1-4H3;(H3,1,2,3,4)/q+1;/p-2