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

Systemtic Name: 1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C22H30FN5O4S+2 MolecularWeight: 479.568103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C22H28FN5O4S/c1-24-8-14-27(15-9-24)33(31,32)19-6-7-21(22(16-19)28(29)30)26-12-10-25(11-13-26)17-18-4-2-3-5-20(18)23/h2-7,16H,8-15,17H2,1H3/p+2