2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide

Systemtic Name: 2-[2-azanyl-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Openeye Name: 2-[2-amino-3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(2-furanyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(furan-2-yl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-1-(2-furyl)ethanone bromide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CO4)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=CO4)N.[Br-]

InChI

InChI=1S/C21H19N3O2.BrH/c1-15-8-10-16(11-9-15)13-23-17-5-2-3-6-18(17)24(21(23)22)14-19(25)20-7-4-12-26-20;/h2-12,22H,13-14H2,1H3;1H