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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C17H19FN3O4S+ MolecularWeight: 380.413863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H18FN3O4S/c18-15-5-3-6-16(12-15)26(24,25)20-10-8-19(9-11-20)13-14-4-1-2-7-17(14)21(22)23/h1-7,12H,8-11,13H2/p+1