cyclohexyl-(3-methanoyl-5-methyl-4-nitro-phenoxy)-octanoyl-oxidanyl-azanium

Systemtic Name: cyclohexyl-(3-methanoyl-5-methyl-4-nitro-phenoxy)-octanoyl-oxidanyl-azanium Openeye Name: cyclohexyl-(3-formyl-5-methyl-4-nitro-phenoxy)-hydroxy-octanoyl-ammonium CAS Name: cyclohexyl-(3-formyl-5-methyl-4-nitrophenoxy)-hydroxy-(1-oxooctyl)ammonium IUPAC Name: cyclohexyl-(3-formyl-5-methyl-4-nitrophenoxy)-hydroxy-octanoylazanium Traditional Name: caprylyl-cyclohexyl-(3-formyl-5-methyl-4-nitro-phenoxy)-hydroxy-ammonium Formula: C22H33N2O6+ MolecularWeight: 421.50722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC(=C(C(=C2)C=O)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC(=C(C(=C2)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C22H33N2O6/c1-3-4-5-6-10-13-21(26)24(29,19-11-8-7-9-12-19)30-20-14-17(2)22(23(27)28)18(15-20)16-25/h14-16,19,29H,3-13H2,1-2H3/q+1