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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-4-5-11(13)10-6-8(2)9(3)12(7-10)14(15)16/h6-7,11H,4-5,13H2,1-3H3/p+1/t11-/m0/s1