1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-fluorobenzyl)-1,4-diazepan-4-ium Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN2O2/c21-17-4-2-16(3-5-17)15-22-8-1-9-23(11-10-22)18-6-7-19-20(14-18)25-13-12-24-19/h2-7,14H,1,8-13,15H2/p+1