N-[4-(2-fluoranylphenoxy)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(2-fluoranylphenoxy)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(2-fluorophenoxy)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(2-fluorophenoxy)phenyl]-1-(2-thiazolylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(2-fluorophenoxy)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C22H23FN3O2S+ MolecularWeight: 412.500323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F)CC4=NC=CS4

InChI

InChI=1S/C22H22FN3O2S/c23-19-3-1-2-4-20(19)28-18-7-5-17(6-8-18)25-22(27)16-9-12-26(13-10-16)15-21-24-11-14-29-21/h1-8,11,14,16H,9-10,12-13,15H2,(H,25,27)/p+1