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

Systemtic Name: 2-[2-azanyl-3-[2-(4-bromanylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanamide chloride Openeye Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide chloride CAS Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]-1-benzimidazol-1-iumyl]acetamide chloride IUPAC Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide chloride Traditional Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]acetamide chloride Formula: C17H18BrClN4O2 MolecularWeight: 425.70742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2CC(=O)N)N)CCOC3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC(=O)N)N)CCOC3=CC=C(C=C3)Br.[Cl-]

InChI

InChI=1S/C17H17BrN4O2.ClH/c18-12-5-7-13(8-6-12)24-10-9-21-14-3-1-2-4-15(14)22(17(21)20)11-16(19)23;/h1-8,20H,9-11H2,(H2,19,23);1H