1-butyl-4-(5-ethoxy-1-benzothiophen-2-yl)piperidine; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 1-butyl-4-(5-ethoxy-1-benzothiophen-2-yl)piperidine; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-butyl-4-(5-ethoxybenzothiophen-2-yl)piperidine; trifluoromethanesulfonic acid CAS Name: 1-butyl-4-(5-ethoxy-1-benzothiophen-2-yl)piperidine; trifluoromethanesulfonic acid IUPAC Name: 1-butyl-4-(5-ethoxy-1-benzothiophen-2-yl)piperidine; trifluoromethanesulfonic acid Traditional Name: 1-butyl-4-(5-ethoxybenzothiophen-2-yl)piperidine; triflic acid Formula: C20H28F3NO4S2 MolecularWeight: 467.56583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2=CC3=C(S2)C=CC(=C3)OCC.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)C2=CC3=C(S2)C=CC(=C3)OCC.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C19H27NOS.CHF3O3S/c1-3-5-10-20-11-8-15(9-12-20)19-14-16-13-17(21-4-2)6-7-18(16)22-19;2-1(3,4)8(5,6)7/h6-7,13-15H,3-5,8-12H2,1-2H3;(H,5,6,7)