[(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(1R)-1-methyl-1-phenethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-phenethylpiperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-phenethyl-piperidin-1-ium-3-yl] ester Formula: C28H38NO3+ MolecularWeight: 436.60622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCC4=CC=CC=C4

Isomeric SMILES

C[N@@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H38NO3/c1-29(21-19-23-12-5-2-6-13-23)20-11-18-26(22-29)32-27(30)28(31,24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-3,5-8,12-15,25-26,31H,4,9-11,16-22H2,1H3/q+1/t26?,28?,29-/m1/s1