3-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-3,5-dinitro-benzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-3,5-dinitrobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-3,5-dinitro-benzoyl)amino]propyl-dimethyl-ammonium Formula: C12H16ClN4O5+ MolecularWeight: 331.73224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H15ClN4O5/c1-15(2)5-3-4-14-12(18)8-6-9(16(19)20)11(13)10(7-8)17(21)22/h6-7H,3-5H2,1-2H3,(H,14,18)/p+1