[3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-oxidanyl-methyl]-2-methoxy-phenyl] hydrogen sulfate

Systemtic Name: [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-oxidanyl-methyl]-2-methoxy-phenyl] hydrogen sulfate Openeye Name: [3-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]-hydroxy-methyl]-2-methoxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenyl] ester IUPAC Name: [3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-2-methoxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]-hydroxy-methyl]-2-methoxy-phenyl] ester Formula: C21H26FNO6S MolecularWeight: 439.497643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1OS(=O)(=O)O)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O

Isomeric SMILES

COC1=C(C=CC=C1OS(=O)(=O)O)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H26FNO6S/c1-28-21-18(3-2-4-19(21)29-30(25,26)27)20(24)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,20,24H,9-14H2,1H3,(H,25,26,27)