3,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-9-oxa-7-aza-3-azoniabicyclo[3.3.1]nonane

Systemtic Name: 3,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-9-oxa-7-aza-3-azoniabicyclo[3.3.1]nonane Openeye Name: 3,5-dimethyl-3,7-bis(p-tolylsulfonyl)-9-oxa-7-aza-3-azoniabicyclo[3.3.1]nonane CAS Name: 3,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-9-oxa-7-aza-3-azoniabicyclo[3.3.1]nonane IUPAC Name: 3,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-9-oxa-7-aza-3-azoniabicyclo[3.3.1]nonane Traditional Name: 3,5-dimethyl-3,7-ditosyl-9-oxa-7-aza-3-azoniabicyclo[3.3.1]nonane Formula: C22H29N2O5S2+ MolecularWeight: 465.60606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C[N+](CC(C2)(O3)C)(C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C[N+](CC(C2)(O3)C)(C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H29N2O5S2/c1-17-5-9-20(10-6-17)30(25,26)23-13-19-14-24(4,16-22(3,15-23)29-19)31(27,28)21-11-7-18(2)8-12-21/h5-12,19H,13-16H2,1-4H3/q+1