3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione

Systemtic Name: 3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Openeye Name: 3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazolidine-2-thione CAS Name: 3-[[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-oxazolidinethione IUPAC Name: 3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Traditional Name: 3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazolidine-2-thione Formula: C14H19N4O5S2+ MolecularWeight: 387.45446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2CCOC2=S)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2CCOC2=S)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O5S2/c19-18(20)12-2-1-3-13(10-12)25(21,22)17-6-4-15(5-7-17)11-16-8-9-23-14(16)24/h1-3,10H,4-9,11H2/p+1