2,3-dihydro-1H-inden-2-yl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[[(3S)-1-[(2-fluoranyl-5-methoxy-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: [(3S)-1-[(2-fluoro-5-methoxy-phenyl)methyl]-3-hydroxy-2-oxo-3-piperidyl]methyl-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: [(3S)-1-(2-fluoro-5-methoxy-benzyl)-3-hydroxy-2-keto-3-piperidyl]methyl-indan-2-yl-ammonium Formula: C23H28FN2O3+ MolecularWeight: 399.478423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCCC(C2=O)(C[NH2+]C3CC4=CC=CC=C4C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCC[C@@](C2=O)(C[NH2+]C3CC4=CC=CC=C4C3)O

InChI

InChI=1S/C23H27FN2O3/c1-29-20-7-8-21(24)18(13-20)14-26-10-4-9-23(28,22(26)27)15-25-19-11-16-5-2-3-6-17(16)12-19/h2-3,5-8,13,19,25,28H,4,9-12,14-15H2,1H3/p+1/t23-/m0/s1