[(2S)-butan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1R)-1-(3-nitrophenyl)ethyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[(1R)-1-(3-nitrophenyl)ethyl]ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C(C)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[NH2+][C@H](C)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-4-9(2)13-10(3)11-6-5-7-12(8-11)14(15)16/h5-10,13H,4H2,1-3H3/p+1/t9-,10+/m0/s1