[(2S)-butan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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