3-fluoranyl-N'-oxidanyl-4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarboximidamide

Systemtic Name: 3-fluoranyl-N'-oxidanyl-4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarboximidamide Openeye Name: 3-fluoro-N'-hydroxy-4-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzamidine CAS Name: 3-fluoro-N'-hydroxy-4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarboximidamide IUPAC Name: 3-fluoro-N'-hydroxy-4-[(2-propan-2-yl-1H-imidazol-3-ium-3-yl)methyl]benzenecarboximidamide Traditional Name: 3-fluoro-N'-hydroxy-4-[(2-isopropyl-1H-imidazol-3-ium-3-yl)methyl]benzamidine Formula: C14H18FN4O+ MolecularWeight: 277.317323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC2=C(C=C(C=C2)C(=NO)N)F

Isomeric SMILES

CC(C)C1=[N+](C=CN1)CC2=C(C=C(C=C2)/C(=N\O)/N)F

InChI

InChI=1S/C14H17FN4O/c1-9(2)14-17-5-6-19(14)8-11-4-3-10(7-12(11)15)13(16)18-20/h3-7,9H,8H2,1-2H3,(H3,16,18,20)/p+1