2-[2-[(4-fluorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-fluorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-fluorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(4-fluorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]acetic acid IUPAC Name: 2-[2-[(4-fluorophenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[(4-fluorobenzyl)amino]-3H-benzimidazol-1-ium-1-yl]acetic acid Formula: C16H15FN3O2+ MolecularWeight: 300.307603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN3O2/c17-12-7-5-11(6-8-12)9-18-16-19-13-3-1-2-4-14(13)20(16)10-15(21)22/h1-8H,9-10H2,(H2,18,19,21,22)/p+1