3-(4-methylphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane

Systemtic Name: 3-(4-methylphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Openeye Name: 3-(p-tolylsulfonyl)-3-aza-1,5-diazoniabicyclo[3.2.1]octane CAS Name: 3-(4-methylphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane IUPAC Name: 3-(4-methylphenyl)sulfonyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Traditional Name: 3-tosyl-3-aza-1,5-diazoniabicyclo[3.2.1]octane Formula: C12H19N3O2S+2 MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-11-2-4-12(5-3-11)18(16,17)15-9-13-6-7-14(8-13)10-15/h2-5H,6-10H2,1H3/p+2