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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CC(C)C)[NH3+])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@H](CC(C)C)[NH3+])[N+](=O)[O-])C

InChI

InChI=1S/C13H20N2O2/c1-8(2)5-12(14)11-6-9(3)10(4)13(7-11)15(16)17/h6-8,12H,5,14H2,1-4H3/p+1/t12-/m0/s1