2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C18H19BrN4O3 MolecularWeight: 419.27246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H18N4O3.BrH/c1-2-11-20-15-5-3-4-6-16(15)21(18(20)19)12-17(23)13-7-9-14(10-8-13)22(24)25;/h3-10,19H,2,11-12H2,1H3;1H