(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one

Systemtic Name: (3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one Openeye Name: (3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(4-thiomorpholin-4-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)-2-piperidone Formula: C18H26FN2O3S+ MolecularWeight: 369.474043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2=O)(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCC[C@@](C2=O)(C[NH+]3CCSCC3)O

InChI

InChI=1S/C18H25FN2O3S/c1-24-15-3-4-16(19)14(11-15)12-21-6-2-5-18(23,17(21)22)13-20-7-9-25-10-8-20/h3-4,11,23H,2,5-10,12-13H2,1H3/p+1/t18-/m0/s1