(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(4-thianyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-fluorophenyl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide Formula: C23H28FN2OS+ MolecularWeight: 399.544623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H27FN2OS/c24-20-5-1-3-18(15-20)17-6-8-21(9-7-17)25-23(27)19-4-2-12-26(16-19)22-10-13-28-14-11-22/h1,3,5-9,15,19,22H,2,4,10-14,16H2,(H,25,27)/p+1/t19-/m0/s1