1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[[2,3-bis(fluoranyl)phenyl]methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-difluorophenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,3-difluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,3-difluorobenzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C18H20F2N3O4S+ MolecularWeight: 412.430906

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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=C(C(=CC=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19F2N3O4S/c1-13-5-6-15(23(24)25)11-17(13)28(26,27)22-9-7-21(8-10-22)12-14-3-2-4-16(19)18(14)20/h2-6,11H,7-10,12H2,1H3/p+1