4-[[2-[(4-bromophenyl)amino]-3-methyl-1H-benzimidazol-3-ium-5-yl]oxy]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[[2-[(4-bromophenyl)amino]-3-methyl-1H-benzimidazol-3-ium-5-yl]oxy]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[[2-(4-bromoanilino)-3-methyl-1H-benzimidazol-3-ium-5-yl]oxy]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[[2-(4-bromoanilino)-3-methyl-1H-benzimidazol-3-ium-5-yl]oxy]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[[2-(4-bromoanilino)-3-methyl-1H-benzimidazol-3-ium-5-yl]oxy]-N-methylpyridine-2-carboxamide Traditional Name: 4-[[2-(4-bromoanilino)-3-methyl-1H-benzimidazol-3-ium-5-yl]oxy]-N-methyl-picolinamide Formula: C21H19BrN5O2+ MolecularWeight: 453.31186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)NC(=[N+]3C)NC4=CC=C(C=C4)Br

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)NC(=[N+]3C)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN5O2/c1-23-20(28)18-11-16(9-10-24-18)29-15-7-8-17-19(12-15)27(2)21(26-17)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H2,23,25,26,28)/p+1