1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-isopropylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C22H28FN2O4S+ MolecularWeight: 435.532123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O4S/c1-16(2)17-3-5-21(6-4-17)30(26,27)25-9-7-24(8-10-25)13-18-11-20(23)12-19-14-28-15-29-22(18)19/h3-6,11-12,16H,7-10,13-15H2,1-2H3/p+1