5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium bromide

Systemtic Name: 5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium bromide Openeye Name: 1-benzyl-5,6-dimethyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium bromide CAS Name: 5,6-dimethyl-1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium bromide IUPAC Name: 1-benzyl-5,6-dimethyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium bromide Traditional Name: 1-benzyl-5,6-dimethyl-3-(4-nitrobenzyl)benzimidazol-1-ium bromide Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H22N3O2.BrH/c1-17-12-22-23(13-18(17)2)25(15-20-8-10-21(11-9-20)26(27)28)16-24(22)14-19-6-4-3-5-7-19;/h3-13,16H,14-15H2,1-2H3;1H/q+1;/p-1