4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoranyl-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-N'-hydroxy-benzamidine CAS Name: 4-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-3-fluoro-N'-hydroxy-benzamidine Formula: C15H23FN3O+ MolecularWeight: 280.361023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(C=C(C=C2)C(=NO)N)F)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC2=C(C=C(C=C2)/C(=N\O)/N)F)C

InChI

InChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-13-7-6-12(8-14(13)16)15(17)18-20/h6-8,10-11,20H,3-5,9H2,1-2H3,(H2,17,18)/p+1/t10-,11-/m0/s1