(2-chloranyl-5-methanoyl-4-nitro-phenoxy)-cyclohexyl-ethanoyl-hexyl-azanium

Systemtic Name: (2-chloranyl-5-methanoyl-4-nitro-phenoxy)-cyclohexyl-ethanoyl-hexyl-azanium Openeye Name: acetyl-(2-chloro-5-formyl-4-nitro-phenoxy)-cyclohexyl-hexyl-ammonium CAS Name: acetyl-(2-chloro-5-formyl-4-nitrophenoxy)-cyclohexyl-hexylammonium IUPAC Name: acetyl-(2-chloro-5-formyl-4-nitrophenoxy)-cyclohexyl-hexylazanium Traditional Name: acetyl-(2-chloro-5-formyl-4-nitro-phenoxy)-cyclohexyl-hexyl-ammonium Formula: C21H30ClN2O5+ MolecularWeight: 425.9263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClN2O5/c1-3-4-5-9-12-24(16(2)26,18-10-7-6-8-11-18)29-21-13-17(15-25)20(23(27)28)14-19(21)22/h13-15,18H,3-12H2,1-2H3/q+1