1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C19H22FN2O2+ MolecularWeight: 329.388583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2COC3=CC=CC=C3O2)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1C[C@H]2COC3=CC=CC=C3O2)C4=CC=CC=C4F

InChI

InChI=1S/C19H21FN2O2/c20-16-5-1-2-6-17(16)22-11-9-21(10-12-22)13-15-14-23-18-7-3-4-8-19(18)24-15/h1-8,15H,9-14H2/p+1/t15-/m0/s1