1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium Formula: C20H24FN2O5S+ MolecularWeight: 423.478363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23FN2O5S/c1-26-18-4-2-16(21)12-15(18)14-22-6-8-23(9-7-22)29(24,25)17-3-5-19-20(13-17)28-11-10-27-19/h2-5,12-13H,6-11,14H2,1H3/p+1