[(1S)-1-(3,4-dimethyl-5-nitro-phenyl)pentyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)pentyl]azanium Openeye Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)pentyl]ammonium CAS Name: [(1S)-1-(3,4-dimethyl-5-nitrophenyl)pentyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethyl-5-nitrophenyl)pentyl]azanium Traditional Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)pentyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-4-5-6-12(14)11-7-9(2)10(3)13(8-11)15(16)17/h7-8,12H,4-6,14H2,1-3H3/p+1/t12-/m0/s1