2-[2,4-bis(fluoranyl)phenyl]-1-butyl-2-oxidanidyl-4,5,6,7-tetrahydro-3H-isoindol-2-ium-1-ol

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-1-butyl-2-oxidanidyl-4,5,6,7-tetrahydro-3H-isoindol-2-ium-1-ol Openeye Name: 1-butyl-2-(2,4-difluorophenyl)-2-oxido-4,5,6,7-tetrahydro-3H-isoindol-2-ium-1-ol CAS Name: 1-butyl-2-(2,4-difluorophenyl)-2-oxido-4,5,6,7-tetrahydro-3H-isoindol-2-ium-1-ol IUPAC Name: 1-butyl-2-(2,4-difluorophenyl)-2-oxido-4,5,6,7-tetrahydro-3H-isoindol-2-ium-1-ol Traditional Name: 1-butyl-2-(2,4-difluorophenyl)-2-oxido-4,5,6,7-tetrahydro-3H-isoindol-2-ium-1-ol Formula: C18H23F2NO2 MolecularWeight: 323.377526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(CCCC2)C[N+]1(C3=C(C=C(C=C3)F)F)[O-])O

Isomeric SMILES

CCCCC1(C2=C(CCCC2)C[N+]1(C3=C(C=C(C=C3)F)F)[O-])O

InChI

InChI=1S/C18H23F2NO2/c1-2-3-10-18(22)15-7-5-4-6-13(15)12-21(18,23)17-9-8-14(19)11-16(17)20/h8-9,11,22H,2-7,10,12H2,1H3