1-[2-(4-fluoranylphenoxy)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine

Systemtic Name: 1-[2-(4-fluoranylphenoxy)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine Openeye Name: 1-[2-(4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-[2-(4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-amine Traditional Name: [1-[2-(4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-1-ium-2-yl]amine Formula: C24H25FN3O3+ MolecularWeight: 422.472003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCN2C3=CC=CC=C3[N+](=C2N)CCOC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1OCCN2C3=CC=CC=C3[N+](=C2N)CCOC4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O3/c1-29-22-8-4-5-9-23(22)31-17-15-28-21-7-3-2-6-20(21)27(24(28)26)14-16-30-19-12-10-18(25)11-13-19/h2-13,26H,14-17H2,1H3/p+1