1-(3H-benzimidazol-1-ium-1-yl)-3-(4-iodanylphenoxy)propan-2-ol

Systemtic Name: 1-(3H-benzimidazol-1-ium-1-yl)-3-(4-iodanylphenoxy)propan-2-ol Openeye Name: 1-(3H-benzimidazol-1-ium-1-yl)-3-(4-iodophenoxy)propan-2-ol CAS Name: 1-(3H-benzimidazol-1-ium-1-yl)-3-(4-iodophenoxy)-2-propanol IUPAC Name: 1-(3H-benzimidazol-1-ium-1-yl)-3-(4-iodophenoxy)propan-2-ol Traditional Name: 1-(3H-benzimidazol-1-ium-1-yl)-3-(4-iodophenoxy)propan-2-ol Formula: C16H16IN2O2+ MolecularWeight: 395.21491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CC(COC3=CC=C(C=C3)I)O

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CC(COC3=CC=C(C=C3)I)O

InChI

InChI=1S/C16H15IN2O2/c17-12-5-7-14(8-6-12)21-10-13(20)9-19-11-18-15-3-1-2-4-16(15)19/h1-8,11,13,20H,9-10H2/p+1