1-(4-bromanylphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol

Systemtic Name: 1-(4-bromanylphenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Openeye Name: 1-(4-bromophenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol CAS Name: 1-(4-bromophenoxy)-3-(3-methyl-1-benzimidazol-3-iumyl)-2-propanol IUPAC Name: 1-(4-bromophenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Traditional Name: 1-(4-bromophenoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Formula: C17H18BrN2O2+ MolecularWeight: 362.24102

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C17H18BrN2O2/c1-19-12-20(17-5-3-2-4-16(17)19)10-14(21)11-22-15-8-6-13(18)7-9-15/h2-9,12,14,21H,10-11H2,1H3/q+1