8-butyl-3-(7-ethyl-1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octane; 4-methylbenzenesulfonic acid

Systemtic Name: 8-butyl-3-(7-ethyl-1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octane; 4-methylbenzenesulfonic acid Openeye Name: 8-butyl-3-(7-ethylbenzofuran-3-yl)-8-azabicyclo[3.2.1]octane; 4-methylbenzenesulfonic acid CAS Name: 8-butyl-3-(7-ethyl-3-benzofuranyl)-8-azabicyclo[3.2.1]octane; 4-methylbenzenesulfonic acid IUPAC Name: 8-butyl-3-(7-ethyl-1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octane; 4-methylbenzenesulfonic acid Traditional Name: 8-butyl-3-(7-ethylbenzofuran-3-yl)-8-azabicyclo[3.2.1]octane; tosylic acid Formula: C28H37NO4S MolecularWeight: 483.66268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2CCC1CC(C2)C3=COC4=C3C=CC=C4CC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCN1C2CCC1CC(C2)C3=COC4=C3C=CC=C4CC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H29NO.C7H8O3S/c1-3-5-11-22-17-9-10-18(22)13-16(12-17)20-14-23-21-15(4-2)7-6-8-19(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h6-8,14,16-18H,3-5,9-13H2,1-2H3;2-5H,1H3,(H,8,9,10)