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

Systemtic Name: [(1S)-1-(2-methyl-5-nitro-phenyl)hexyl]azanium Openeye Name: [(1S)-1-(2-methyl-5-nitro-phenyl)hexyl]ammonium CAS Name: [(1S)-1-(2-methyl-5-nitrophenyl)hexyl]ammonium IUPAC Name: [(1S)-1-(2-methyl-5-nitrophenyl)hexyl]azanium Traditional Name: [(1S)-1-(2-methyl-5-nitro-phenyl)hexyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-3-4-5-6-13(14)12-9-11(15(16)17)8-7-10(12)2/h7-9,13H,3-6,14H2,1-2H3/p+1/t13-/m0/s1