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

Systemtic Name: (3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Openeye Name: (3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one CAS Name: (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(1-piperidin-1-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)piperidin-2-one Traditional Name: (3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-3-(piperidin-1-ium-1-ylmethyl)-2-piperidone Formula: C19H28FN2O3+ MolecularWeight: 351.435623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2=O)(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCC[C@@](C2=O)(C[NH+]3CCCCC3)O

InChI

InChI=1S/C19H27FN2O3/c1-25-16-6-7-17(20)15(12-16)13-22-11-5-8-19(24,18(22)23)14-21-9-3-2-4-10-21/h6-7,12,24H,2-5,8-11,13-14H2,1H3/p+1/t19-/m0/s1