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

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-fluoro-3-nitrophenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-4-(2-methylbenzyl)piperazin-4-ium Formula: C18H21FN3O4S+ MolecularWeight: 394.440443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

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