2-[2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[(5-bromo-2-fluoro-benzoyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[(5-bromo-2-fluorobenzoyl)amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[(5-bromo-2-fluoro-benzoyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C20H23BrFN4O+ MolecularWeight: 434.325223

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C20H22BrFN4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-17(18)23-20(26)24-19(27)15-13-14(21)9-10-16(15)22/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,27)/p+1