butyl-cyclohexyl-(2-ethanoyl-4-fluoranyl-3-nitro-phenoxy)-heptanoyl-azanium

Systemtic Name: butyl-cyclohexyl-(2-ethanoyl-4-fluoranyl-3-nitro-phenoxy)-heptanoyl-azanium Openeye Name: (2-acetyl-4-fluoro-3-nitro-phenoxy)-butyl-cyclohexyl-heptanoyl-ammonium CAS Name: (2-acetyl-4-fluoro-3-nitrophenoxy)-butyl-cyclohexyl-(1-oxoheptyl)ammonium IUPAC Name: (2-acetyl-4-fluoro-3-nitrophenoxy)-butyl-cyclohexyl-heptanoylazanium Traditional Name: (2-acetyl-4-fluoro-3-nitro-phenoxy)-butyl-cyclohexyl-enanthyl-ammonium Formula: C25H38FN2O5+ MolecularWeight: 465.578023

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H38FN2O5/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/h16-17,20H,4-15,18H2,1-3H3/q+1