2-methyl-1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide

Systemtic Name: 2-methyl-1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide Openeye Name: 2-methyl-1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide CAS Name: 2-methyl-1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide IUPAC Name: 2-methyl-1,3-bis[(4-nitrophenyl)methyl]imidazol-1-ium bromide Traditional Name: 2-methyl-1,3-bis(4-nitrobenzyl)imidazol-1-ium bromide Formula: C18H17BrN4O4 MolecularWeight: 433.25598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H17N4O4.BrH/c1-14-19(12-15-2-6-17(7-3-15)21(23)24)10-11-20(14)13-16-4-8-18(9-5-16)22(25)26;/h2-11H,12-13H2,1H3;1H/q+1;/p-1