2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluoranylbenzoate

Systemtic Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluoranylbenzoate Openeye Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-(3H-benzimidazol-1-ium-1-yl)ethyl ester IUPAC Name: 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-(3H-benzimidazol-1-ium-1-yl)ethyl ester Formula: C16H14FN2O2+ MolecularWeight: 285.292963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2CCOC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2CCOC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H13FN2O2/c17-13-7-5-12(6-8-13)16(20)21-10-9-19-11-18-14-3-1-2-4-15(14)19/h1-8,11H,9-10H2/p+1