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

Systemtic Name: [(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-ethyl-hexyl]azanium Openeye Name: [(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-ethyl-hexyl]ammonium CAS Name: [(1S,2S)-1-(2,3-dimethyl-5-nitrophenyl)-2-ethylhexyl]ammonium IUPAC Name: [(1S,2S)-1-(2,3-dimethyl-5-nitrophenyl)-2-ethylhexyl]azanium Traditional Name: [(1S,2S)-1-(2,3-dimethyl-5-nitro-phenyl)-2-ethyl-hexyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-5-7-8-13(6-2)16(17)15-10-14(18(19)20)9-11(3)12(15)4/h9-10,13,16H,5-8,17H2,1-4H3/p+1/t13-,16-/m0/s1