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

Systemtic Name: [(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(3-phenylpropyl)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-(3-phenylpropyl)-3-piperidin-1-iumyl] ester IUPAC Name: [(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] ester Formula: C29H40NO3+ MolecularWeight: 450.6328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCCC4=CC=CC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H40NO3/c1-30(21-11-15-24-13-5-2-6-14-24)22-12-20-27(23-30)33-28(31)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-3,5-8,13-14,16-17,26-27,32H,4,9-12,15,18-23H2,1H3/q+1/t27?,29?,30-/m1/s1