[(1S,2S)-1-(3-chloranyl-5-nitro-phenyl)-2-ethyl-hexyl]azanium

Systemtic Name: [(1S,2S)-1-(3-chloranyl-5-nitro-phenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(3-chloro-5-nitro-phenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(3-chloro-5-nitrophenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(3-chloro-5-nitrophenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(3-chloro-5-nitro-phenyl)-2-ethyl-hexyl]ammonium Formula: C14H22ClN2O2+ MolecularWeight: 285.78968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC(=CC(=C1)Cl)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](C1=CC(=CC(=C1)Cl)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C14H21ClN2O2/c1-3-5-6-10(4-2)14(16)11-7-12(15)9-13(8-11)17(18)19/h7-10,14H,3-6,16H2,1-2H3/p+1/t10-,14-/m0/s1