1-(4-ethoxyphenyl)sulfonyl-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-4-ium Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C21H26FN2O5S+ MolecularWeight: 437.504943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C21H25FN2O5S/c1-2-28-19-3-5-20(6-4-19)30(25,26)24-9-7-23(8-10-24)13-16-11-18(22)12-17-14-27-15-29-21(16)17/h3-6,11-12H,2,7-10,13-15H2,1H3/p+1