4-tert-butyl-1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium

Systemtic Name: 4-tert-butyl-1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium Openeye Name: 4-tert-butyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium CAS Name: 4-tert-butyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium IUPAC Name: 4-tert-butyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium Traditional Name: 4-tert-butyl-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]pyridin-1-ium Formula: C24H25FNO2+ MolecularWeight: 378.459203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C24H25FNO2/c1-24(2,3)20-9-11-26(12-10-20)15-18-13-21(25)14-19-16-27-23(28-22(18)19)17-7-5-4-6-8-17/h4-14,23H,15-16H2,1-3H3/q+1/t23-/m0/s1