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

Systemtic Name: [(1S,2S)-2-methyl-1-(2-methyl-5-nitro-phenyl)butyl]azanium Openeye Name: [(1S,2S)-2-methyl-1-(2-methyl-5-nitro-phenyl)butyl]ammonium CAS Name: [(1S,2S)-2-methyl-1-(2-methyl-5-nitrophenyl)butyl]ammonium IUPAC Name: [(1S,2S)-2-methyl-1-(2-methyl-5-nitrophenyl)butyl]azanium Traditional Name: [(1S,2S)-2-methyl-1-(2-methyl-5-nitro-phenyl)butyl]ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-4-8(2)12(13)11-7-10(14(15)16)6-5-9(11)3/h5-8,12H,4,13H2,1-3H3/p+1/t8-,12-/m0/s1