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

Systemtic Name: 2-[2-azanyl-3-[2-(4-bromanylphenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol Openeye Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol CAS Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]-1-benzimidazol-1-iumyl]ethanol IUPAC Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol Traditional Name: 2-[2-amino-3-[2-(4-bromophenoxy)ethyl]benzimidazol-1-ium-1-yl]ethanol Formula: C17H19BrN3O2+ MolecularWeight: 377.25566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2CCO)N)CCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CCO)N)CCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O2/c18-13-5-7-14(8-6-13)23-12-10-21-16-4-2-1-3-15(16)20(9-11-22)17(21)19/h1-8,19,22H,9-12H2/p+1