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

Systemtic Name: [(1S,2S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)hexyl]azanium Openeye Name: [(1S,2S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)hexyl]ammonium CAS Name: [(1S,2S)-2-ethyl-1-(2-methyl-5-nitrophenyl)hexyl]ammonium IUPAC Name: [(1S,2S)-2-ethyl-1-(2-methyl-5-nitrophenyl)hexyl]azanium Traditional Name: [(1S,2S)-2-ethyl-1-(2-methyl-5-nitro-phenyl)hexyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-4-6-7-12(5-2)15(16)14-10-13(17(18)19)9-8-11(14)3/h8-10,12,15H,4-7,16H2,1-3H3/p+1/t12-,15-/m0/s1