5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-7-propoxy-quinoline; 4-methylbenzenesulfonic acid

Systemtic Name: 5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-7-propoxy-quinoline; 4-methylbenzenesulfonic acid Openeye Name: 5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-7-propoxy-quinoline; 4-methylbenzenesulfonic acid CAS Name: 5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-7-propoxyquinoline; 4-methylbenzenesulfonic acid IUPAC Name: 5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-7-propoxyquinoline; 4-methylbenzenesulfonic acid Traditional Name: 5-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-7-propoxy-quinoline; tosylic acid Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=CC(=N2)C3=CC4CCC(C3)N4C)C(=C1)CC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCOC1=CC2=C(C=CC(=N2)C3=CC4CCC(C3)N4C)C(=C1)CC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H28N2O.C7H8O3S/c1-4-10-25-19-13-15(5-2)20-8-9-21(23-22(20)14-19)16-11-17-6-7-18(12-16)24(17)3;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,11,13-14,17-18H,4-7,10,12H2,1-3H3;2-5H,1H3,(H,8,9,10)