1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C20H23FN3O6S+ MolecularWeight: 452.476523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H22FN3O6S/c1-14-2-3-18(24(25)26)10-19(14)31(27,28)23-6-4-22(5-7-23)11-15-8-17(21)9-16-12-29-13-30-20(15)16/h2-3,8-10H,4-7,11-13H2,1H3/p+1