N-[4-(2-fluoranylphenoxy)phenyl]-1-(thian-4-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(2-fluoranylphenoxy)phenyl]-1-(thian-4-yl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(2-fluorophenoxy)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(2-fluorophenoxy)phenyl]-1-(4-thianyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-(thian-4-yl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(2-fluorophenoxy)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxamide Formula: C23H28FN2O2S+ MolecularWeight: 415.544023

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F)C4CCSCC4

InChI

InChI=1S/C23H27FN2O2S/c24-21-3-1-2-4-22(21)28-20-7-5-18(6-8-20)25-23(27)17-9-13-26(14-10-17)19-11-15-29-16-12-19/h1-8,17,19H,9-16H2,(H,25,27)/p+1