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

Systemtic Name: cyclobutyl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: cyclobutyl-[[(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl]ammonium CAS Name: cyclobutyl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: cyclobutyl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: cyclobutyl-[[(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-2-keto-3-piperidyl]methyl]ammonium Formula: C18H26FN2O3+ MolecularWeight: 337.409043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2=O)(C[NH2+]C3CCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCC[C@@](C2=O)(C[NH2+]C3CCC3)O

InChI

InChI=1S/C18H25FN2O3/c1-24-15-6-7-16(19)13(10-15)11-21-9-3-8-18(23,17(21)22)12-20-14-4-2-5-14/h6-7,10,14,20,23H,2-5,8-9,11-12H2,1H3/p+1/t18-/m0/s1