cyclohexyl-(3-ethanoyl-4-nitro-phenoxy)-hexyl-pentanoyl-azanium

Systemtic Name: cyclohexyl-(3-ethanoyl-4-nitro-phenoxy)-hexyl-pentanoyl-azanium Openeye Name: (3-acetyl-4-nitro-phenoxy)-cyclohexyl-hexyl-pentanoyl-ammonium CAS Name: (3-acetyl-4-nitrophenoxy)-cyclohexyl-hexyl-(1-oxopentyl)ammonium IUPAC Name: (3-acetyl-4-nitrophenoxy)-cyclohexyl-hexyl-pentanoylazanium Traditional Name: (3-acetyl-4-nitro-phenoxy)-cyclohexyl-hexyl-valeryl-ammonium Formula: C25H39N2O5+ MolecularWeight: 447.58756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N2O5/c1-4-6-8-12-18-27(25(29)15-7-5-2,21-13-10-9-11-14-21)32-22-16-17-24(26(30)31)23(19-22)20(3)28/h16-17,19,21H,4-15,18H2,1-3H3/q+1