3-[2-[[1-[(2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl]piperidin-4-yl]-dimethyl-azaniumyl]ethyl]phenolate

Systemtic Name: 3-[2-[[1-[(2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl]piperidin-4-yl]-dimethyl-azaniumyl]ethyl]phenolate Openeye Name: 3-[2-[[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetyl]-4-piperidyl]-dimethyl-ammonio]ethyl]phenolate CAS Name: 3-[2-[[1-[(2R)-2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethyl]-4-piperidinyl]-dimethylammonio]ethyl]phenolate IUPAC Name: 3-[2-[[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]piperidin-4-yl]-dimethylazaniumyl]ethyl]phenolate Traditional Name: 3-[2-[[1-[(2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetyl]-4-piperidyl]-dimethyl-ammonio]ethyl]phenolate Formula: C28H38N2O3 MolecularWeight: 450.61292

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC(=CC=C1)[O-])C2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[N+](C)(CCC1=CC(=CC=C1)[O-])C2CCN(CC2)C(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C28H38N2O3/c1-30(2,20-17-22-9-8-14-26(31)21-22)25-15-18-29(19-16-25)27(32)28(33,24-12-6-7-13-24)23-10-4-3-5-11-23/h3-5,8-11,14,21,24-25,33H,6-7,12-13,15-20H2,1-2H3/t28-/m0/s1