2-methyl-5-nitro-1,3-bis(phenylmethyl)benzimidazol-1-ium chloride

Systemtic Name: 2-methyl-5-nitro-1,3-bis(phenylmethyl)benzimidazol-1-ium chloride Openeye Name: 1,3-dibenzyl-2-methyl-5-nitro-benzimidazol-1-ium chloride CAS Name: 2-methyl-5-nitro-1,3-bis(phenylmethyl)benzimidazol-1-ium chloride IUPAC Name: 1,3-dibenzyl-2-methyl-5-nitrobenzimidazol-1-ium chloride Traditional Name: 1,3-dibenzyl-2-methyl-5-nitro-benzimidazol-1-ium chloride Formula: C22H20ClN3O2 MolecularWeight: 393.8661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=[N+](C2=C(N1CC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H20N3O2.ClH/c1-17-23(15-18-8-4-2-5-9-18)21-13-12-20(25(26)27)14-22(21)24(17)16-19-10-6-3-7-11-19;/h2-14H,15-16H2,1H3;1H/q+1;/p-1