butyl-cyclohexyl-[4-fluoranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-heptanoyl-azanium

Systemtic Name: butyl-cyclohexyl-[4-fluoranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-heptanoyl-azanium Openeye Name: butyl-cyclohexyl-[4-fluoro-2-(1-hydroxyethyl)-3-nitro-phenoxy]-heptanoyl-ammonium CAS Name: butyl-cyclohexyl-[4-fluoro-2-(1-hydroxyethyl)-3-nitrophenoxy]-(1-oxoheptyl)ammonium IUPAC Name: butyl-cyclohexyl-[4-fluoro-2-(1-hydroxyethyl)-3-nitrophenoxy]-heptanoylazanium Traditional Name: butyl-cyclohexyl-enanthyl-[4-fluoro-2-(1-hydroxyethyl)-3-nitro-phenoxy]ammonium Formula: C25H40FN2O5+ MolecularWeight: 467.593903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)[N+](CCCC)(C1CCCCC1)OC2=C(C(=C(C=C2)F)[N+](=O)[O-])C(C)O

Isomeric SMILES

CCCCCCC(=O)[N+](CCCC)(C1CCCCC1)OC2=C(C(=C(C=C2)F)[N+](=O)[O-])C(C)O

InChI

InChI=1S/C25H40FN2O5/c1-4-6-8-12-15-23(30)28(18-7-5-2,20-13-10-9-11-14-20)33-22-17-16-21(26)25(27(31)32)24(22)19(3)29/h16-17,19-20,29H,4-15,18H2,1-3H3/q+1