3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 4-methylbenzenesulfonate; 1-methylpiperidin-2-imine

Systemtic Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 4-methylbenzenesulfonate; 1-methylpiperidin-2-imine Openeye Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 4-methylbenzenesulfonate; 1-methylpiperidin-2-imine CAS Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 4-methylbenzenesulfonate; 1-methyl-2-piperidinimine IUPAC Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 4-methylbenzenesulfonate; 1-methylpiperidin-2-imine Traditional Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; (1-methyl-2-piperidylidene)amine; tosylate Formula: C21H27N2O4S2- MolecularWeight: 435.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1CCCCC1=N.COC1=C2C=CC(=C1)CS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1CCCCC1=N.COC1=C2C=CC(=C1)CS2

InChI

InChI=1S/C8H8OS.C7H8O3S.C6H12N2/c1-9-7-4-6-2-3-8(7)10-5-6;1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-4H,5H2,1H3;2-5H,1H3,(H,8,9,10);7H,2-5H2,1H3/p-1