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

Systemtic Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-propyl]azanium Openeye Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-propyl]ammonium CAS Name: [(1S)-1-(3,4-dimethyl-5-nitrophenyl)-2-methylpropyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethyl-5-nitrophenyl)-2-methylpropyl]azanium Traditional Name: [(1S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-propyl]ammonium Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C(C)C)[NH3+])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@H](C(C)C)[NH3+])[N+](=O)[O-])C

InChI

InChI=1S/C12H18N2O2/c1-7(2)12(13)10-5-8(3)9(4)11(6-10)14(15)16/h5-7,12H,13H2,1-4H3/p+1/t12-/m0/s1