cyclopropylmethyl-[2,3-dinitro-6-(trifluoromethyl)phenyl]-propyl-azanium chloride

Systemtic Name: cyclopropylmethyl-[2,3-dinitro-6-(trifluoromethyl)phenyl]-propyl-azanium chloride Openeye Name: cyclopropylmethyl-[2,3-dinitro-6-(trifluoromethyl)phenyl]-propyl-ammonium chloride CAS Name: cyclopropylmethyl-[2,3-dinitro-6-(trifluoromethyl)phenyl]-propylammonium chloride IUPAC Name: cyclopropylmethyl-[2,3-dinitro-6-(trifluoromethyl)phenyl]-propylazanium chloride Traditional Name: cyclopropylmethyl-[2,3-dinitro-6-(trifluoromethyl)phenyl]-propyl-ammonium chloride Formula: C14H17ClF3N3O4 MolecularWeight: 383.75069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)C2=C(C=CC(=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F.[Cl-]

Isomeric SMILES

CCC[NH+](CC1CC1)C2=C(C=CC(=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F.[Cl-]

InChI

InChI=1S/C14H16F3N3O4.ClH/c1-2-7-18(8-9-3-4-9)12-10(14(15,16)17)5-6-11(19(21)22)13(12)20(23)24;/h5-6,9H,2-4,7-8H2,1H3;1H