1-(1-bromanylnaphthalen-2-yl)oxy-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol

Systemtic Name: 1-(1-bromanylnaphthalen-2-yl)oxy-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Openeye Name: 1-[(1-bromo-2-naphthyl)oxy]-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol CAS Name: 1-[(1-bromo-2-naphthalenyl)oxy]-3-(3-methyl-1-benzimidazol-3-iumyl)-2-propanol IUPAC Name: 1-(1-bromonaphthalen-2-yl)oxy-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Traditional Name: 1-(1-bromo-2-naphthoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol Formula: C21H20BrN2O2+ MolecularWeight: 412.2997

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(COC3=C(C4=CC=CC=C4C=C3)Br)O

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(COC3=C(C4=CC=CC=C4C=C3)Br)O

InChI

InChI=1S/C21H20BrN2O2/c1-23-14-24(19-9-5-4-8-18(19)23)12-16(25)13-26-20-11-10-15-6-2-3-7-17(15)21(20)22/h2-11,14,16,25H,12-13H2,1H3/q+1