1,3-benzodioxol-5-yl-[(3S)-1-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(6-fluoranyl-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H21FN3O3+ MolecularWeight: 382.408143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=C(N2)C=C(C=C3)F)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=C(N2)C=C(C=C3)F)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20FN3O3/c22-15-4-5-16-17(9-15)24-20(23-16)11-25-7-1-2-14(10-25)21(26)13-3-6-18-19(8-13)28-12-27-18/h3-6,8-9,14H,1-2,7,10-12H2,(H,23,24)/p+1/t14-/m0/s1