[(1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-butyl]azanium

Systemtic Name: [(1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-butyl]azanium Openeye Name: [(1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-butyl]ammonium CAS Name: [(1S,2S)-1-(3,4-dimethyl-5-nitrophenyl)-2-methylbutyl]ammonium IUPAC Name: [(1S,2S)-1-(3,4-dimethyl-5-nitrophenyl)-2-methylbutyl]azanium Traditional Name: [(1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-butyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-5-8(2)13(14)11-6-9(3)10(4)12(7-11)15(16)17/h6-8,13H,5,14H2,1-4H3/p+1/t8-,13-/m0/s1