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

Systemtic Name: [(1S,2S)-2-ethyl-1-(2-ethyl-5-nitro-phenyl)hexyl]azanium Openeye Name: [(1S,2S)-2-ethyl-1-(2-ethyl-5-nitro-phenyl)hexyl]ammonium CAS Name: [(1S,2S)-2-ethyl-1-(2-ethyl-5-nitrophenyl)hexyl]ammonium IUPAC Name: [(1S,2S)-2-ethyl-1-(2-ethyl-5-nitrophenyl)hexyl]azanium Traditional Name: [(1S,2S)-2-ethyl-1-(2-ethyl-5-nitro-phenyl)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-])CC)[NH3+]

Isomeric SMILES

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

InChI

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