tert-butyl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: tert-butyl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: tert-butyl-[[(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: tert-butyl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: tert-butyl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: tert-butyl-[[(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C18H28FN2O3+ MolecularWeight: 339.424923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1(CCCN(C1=O)CC2=C(C=CC(=C2)OC)F)O

Isomeric SMILES

CC(C)(C)[NH2+]C[C@]1(CCCN(C1=O)CC2=C(C=CC(=C2)OC)F)O

InChI

InChI=1S/C18H27FN2O3/c1-17(2,3)20-12-18(23)8-5-9-21(16(18)22)11-13-10-14(24-4)6-7-15(13)19/h6-7,10,20,23H,5,8-9,11-12H2,1-4H3/p+1/t18-/m0/s1