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

Systemtic Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-piperidin-2-one CAS Name: (3S)-3-(1-azocan-1-iumylmethyl)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-piperidinone IUPAC Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one Traditional Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-2-piperidone Formula: C21H32FN2O3+ MolecularWeight: 379.488783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2=O)(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCC[C@@](C2=O)(C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C21H31FN2O3/c1-27-18-8-9-19(22)17(14-18)15-24-13-7-10-21(26,20(24)25)16-23-11-5-3-2-4-6-12-23/h8-9,14,26H,2-7,10-13,15-16H2,1H3/p+1/t21-/m0/s1