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

Systemtic Name: [(1S)-1-(2-methyl-5-nitro-phenyl)ethyl]azanium Openeye Name: [(1S)-1-(2-methyl-5-nitro-phenyl)ethyl]ammonium CAS Name: [(1S)-1-(2-methyl-5-nitrophenyl)ethyl]ammonium IUPAC Name: [(1S)-1-(2-methyl-5-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1-(2-methyl-5-nitro-phenyl)ethyl]ammonium Formula: C9H13N2O2+ MolecularWeight: 181.21172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-6-3-4-8(11(12)13)5-9(6)7(2)10/h3-5,7H,10H2,1-2H3/p+1/t7-/m0/s1