3-(3-nitrophenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane

Systemtic Name: 3-(3-nitrophenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Openeye Name: 3-(3-nitrophenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane CAS Name: 3-(3-nitrophenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane IUPAC Name: 3-(3-nitrophenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Traditional Name: 3-(3-nitrophenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Formula: C11H16N4O4S+2 MolecularWeight: 300.33414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2C[NH+]1CN(C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]2C[NH+]1CN(C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O4S/c16-15(17)10-2-1-3-11(6-10)20(18,19)14-8-12-4-5-13(7-12)9-14/h1-3,6H,4-5,7-9H2/p+2