5,6-bis(fluoranyl)-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 5,6-bis(fluoranyl)-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 5,6-difluoro-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 5,6-difluoro-2-[(3S)-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 5,6-difluoro-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 5,6-difluoro-2-[(3S)-piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C12H14F2N3+ MolecularWeight: 238.256466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=NC3=CC(=C(C=C3N2)F)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C2=NC3=CC(=C(C=C3N2)F)F

InChI

InChI=1S/C12H13F2N3/c13-8-4-10-11(5-9(8)14)17-12(16-10)7-2-1-3-15-6-7/h4-5,7,15H,1-3,6H2,(H,16,17)/p+1/t7-/m0/s1