1-butyl-4-(7-propoxy-1-benzothiophen-2-yl)piperidine; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 1-butyl-4-(7-propoxy-1-benzothiophen-2-yl)piperidine; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-butyl-4-(7-propoxybenzothiophen-2-yl)piperidine; trifluoromethanesulfonic acid CAS Name: 1-butyl-4-(7-propoxy-1-benzothiophen-2-yl)piperidine; trifluoromethanesulfonic acid IUPAC Name: 1-butyl-4-(7-propoxy-1-benzothiophen-2-yl)piperidine; trifluoromethanesulfonic acid Traditional Name: 1-butyl-4-(7-propoxybenzothiophen-2-yl)piperidine; triflic acid Formula: C21H30F3NO4S2 MolecularWeight: 481.59241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NOS.CHF3O3S/c1-3-5-11-21-12-9-16(10-13-21)19-15-17-7-6-8-18(20(17)23-19)22-14-4-2;2-1(3,4)8(5,6)7/h6-8,15-16H,3-5,9-14H2,1-2H3;(H,5,6,7)