(3S)-N-(4-fluorophenyl)-1-(thian-4-yl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-(thian-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-(4-thianyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-(thian-4-yl)piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]amine Formula: C16H24FN2S+ MolecularWeight: 295.438563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN2S/c17-13-3-5-14(6-4-13)18-15-2-1-9-19(12-15)16-7-10-20-11-8-16/h3-6,15-16,18H,1-2,7-12H2/p+1/t15-/m0/s1