1-[(2-fluorophenyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C18H21FN3O4S+ MolecularWeight: 394.440443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O4S/c1-14-6-7-16(12-18(14)22(23)24)27(25,26)21-10-8-20(9-11-21)13-15-4-2-3-5-17(15)19/h2-7,12H,8-11,13H2,1H3/p+1