3-[[3-(4-fluorophenyl)imidazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(4-fluorophenyl)imidazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(4-fluorophenyl)-4-imidazolyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C21H24FN4O+ MolecularWeight: 367.439863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CN=CN1C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CN=CN1C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H23FN4O/c1-25(15-17-6-3-2-4-7-17)13-5-12-24-21(27)20-14-23-16-26(20)19-10-8-18(22)9-11-19/h2-4,6-11,14,16H,5,12-13,15H2,1H3,(H,24,27)/p+1