(3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-fluoranyl-4-phenyl-phenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-fluoro-4-phenylphenyl)-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-fluoro-4-phenyl-phenyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C23H27FNOS+ MolecularWeight: 384.529983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FNOS/c24-22-15-18(8-9-21(22)17-5-2-1-3-6-17)23(26)19-7-4-12-25(16-19)20-10-13-27-14-11-20/h1-3,5-6,8-9,15,19-20H,4,7,10-14,16H2/p+1/t19-/m0/s1