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

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C18H20BrFN3O4S+ MolecularWeight: 473.336503

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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=C(C=C3)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrFN3O4S/c1-13-2-5-16(23(24)25)11-18(13)28(26,27)22-8-6-21(7-9-22)12-14-3-4-15(20)10-17(14)19/h2-5,10-11H,6-9,12H2,1H3/p+1