butanoyl-butyl-cyclohexyl-(3-methanoyl-4-nitro-phenoxy)azanium

Systemtic Name: butanoyl-butyl-cyclohexyl-(3-methanoyl-4-nitro-phenoxy)azanium Openeye Name: butanoyl-butyl-cyclohexyl-(3-formyl-4-nitro-phenoxy)ammonium CAS Name: butyl-cyclohexyl-(3-formyl-4-nitrophenoxy)-(1-oxobutyl)ammonium IUPAC Name: butanoyl-butyl-cyclohexyl-(3-formyl-4-nitrophenoxy)azanium Traditional Name: butyl-butyryl-cyclohexyl-(3-formyl-4-nitro-phenoxy)ammonium Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N2O5/c1-3-5-14-23(21(25)9-4-2,18-10-7-6-8-11-18)28-19-12-13-20(22(26)27)17(15-19)16-24/h12-13,15-16,18H,3-11,14H2,1-2H3/q+1