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

Systemtic Name: 4-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Formula: C21H26FN4O5S+ MolecularWeight: 465.518343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O5S/c22-19-4-2-1-3-17(19)16-23-7-9-24(10-8-23)20-6-5-18(15-21(20)26(27)28)32(29,30)25-11-13-31-14-12-25/h1-6,15H,7-14,16H2/p+1