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

Systemtic Name: [(1S,2S)-1-(2-ethyl-5-nitro-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(2-ethyl-5-nitro-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(2-ethyl-5-nitrophenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(2-ethyl-5-nitrophenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(2-ethyl-5-nitro-phenyl)-2-methyl-pentyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-4-6-10(3)14(15)13-9-12(16(17)18)8-7-11(13)5-2/h7-10,14H,4-6,15H2,1-3H3/p+1/t10-,14-/m0/s1