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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-4-5-10(3)13(14)12-8-11(15(16)17)7-6-9(12)2/h6-8,10,13H,4-5,14H2,1-3H3/p+1/t10-,13-/m0/s1