4-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methylazaniumyl]benzoate

Systemtic Name: 4-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methylazaniumyl]benzoate Openeye Name: 4-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methylammonio]benzoate CAS Name: 4-[[1-[(2-fluorophenyl)methyl]-2-benzimidazolyl]methylammonio]benzoate IUPAC Name: 4-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methylazaniumyl]benzoate Traditional Name: 4-[[1-(2-fluorobenzyl)benzimidazol-2-yl]methylammonio]benzoate Formula: C22H18FN3O2 MolecularWeight: 375.395623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C[NH2+]C4=CC=C(C=C4)C(=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C[NH2+]C4=CC=C(C=C4)C(=O)[O-])F

InChI

InChI=1S/C22H18FN3O2/c23-18-6-2-1-5-16(18)14-26-20-8-4-3-7-19(20)25-21(26)13-24-17-11-9-15(10-12-17)22(27)28/h1-12,24H,13-14H2,(H,27,28)