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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-fluorophenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-fluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-fluorobenzyl)-4-(2-methyl-5-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)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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