1-butyl-4-(6-ethoxy-1-benzothiophen-3-yl)piperidine; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 1-butyl-4-(6-ethoxy-1-benzothiophen-3-yl)piperidine; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-butyl-4-(6-ethoxybenzothiophen-3-yl)piperidine; trifluoromethanesulfonic acid CAS Name: 1-butyl-4-(6-ethoxy-1-benzothiophen-3-yl)piperidine; trifluoromethanesulfonic acid IUPAC Name: 1-butyl-4-(6-ethoxy-1-benzothiophen-3-yl)piperidine; trifluoromethanesulfonic acid Traditional Name: 1-butyl-4-(6-ethoxybenzothiophen-3-yl)piperidine; triflic acid Formula: C20H28F3NO4S2 MolecularWeight: 467.56583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2=CSC3=C2C=CC(=C3)OCC.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)C2=CSC3=C2C=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)18-14-22-19-13-16(21-4-2)6-7-17(18)19;2-1(3,4)8(5,6)7/h6-7,13-15H,3-5,8-12H2,1-2H3;(H,5,6,7)