(5R)-3-(4-methylphenyl)sulfonyl-5-nitro-3-aza-1,7-diazoniabicyclo[3.3.1]nonane

Systemtic Name: (5R)-3-(4-methylphenyl)sulfonyl-5-nitro-3-aza-1,7-diazoniabicyclo[3.3.1]nonane Openeye Name: (5R)-5-nitro-3-(p-tolylsulfonyl)-3-aza-1,7-diazoniabicyclo[3.3.1]nonane CAS Name: (5R)-3-(4-methylphenyl)sulfonyl-5-nitro-3-aza-1,7-diazoniabicyclo[3.3.1]nonane IUPAC Name: (5R)-3-(4-methylphenyl)sulfonyl-5-nitro-3-aza-1,7-diazoniabicyclo[3.3.1]nonane Traditional Name: (5R)-5-nitro-3-tosyl-3-aza-1,7-diazoniabicyclo[3.3.1]nonane Formula: C13H20N4O4S+2 MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C[NH2+]C[NH+](C3)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@]3(C[NH2+]C[NH+](C3)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4S/c1-11-2-4-12(5-3-11)22(20,21)16-8-13(17(18)19)6-14-9-15(7-13)10-16/h2-5,14H,6-10H2,1H3/p+2/t13-/m1/s1