2-[2-azanyl-3-[3-(4-bromanylphenoxy)propyl]benzimidazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-azanyl-3-[3-(4-bromanylphenoxy)propyl]benzimidazol-1-ium-1-yl]ethanamide Openeye Name: 2-[2-amino-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-1-yl]acetamide CAS Name: 2-[2-amino-3-[3-(4-bromophenoxy)propyl]-1-benzimidazol-1-iumyl]acetamide IUPAC Name: 2-[2-amino-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-1-yl]acetamide Traditional Name: 2-[2-amino-3-[3-(4-bromophenoxy)propyl]benzimidazol-1-ium-1-yl]acetamide Formula: C18H20BrN4O2+ MolecularWeight: 404.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2CC(=O)N)N)CCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC(=O)N)N)CCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4O2/c19-13-6-8-14(9-7-13)25-11-3-10-22-15-4-1-2-5-16(15)23(18(22)21)12-17(20)24/h1-2,4-9,21H,3,10-12H2,(H2,20,24)/p+1