1H-benzimidazol-2-ylmethyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(2-fluorophenyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(2-fluorophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-(2-fluorobenzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C21H23FN5+ MolecularWeight: 364.439223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH+](CCCN2C=CN=C2)CC3=NC4=CC=CC=C4N3)F

Isomeric SMILES

C1=CC=C(C(=C1)C[NH+](CCCN2C=CN=C2)CC3=NC4=CC=CC=C4N3)F

InChI

InChI=1S/C21H22FN5/c22-18-7-2-1-6-17(18)14-27(12-5-11-26-13-10-23-16-26)15-21-24-19-8-3-4-9-20(19)25-21/h1-4,6-10,13,16H,5,11-12,14-15H2,(H,24,25)/p+1