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

Systemtic Name: [(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-methyl-1-(3-phenylpropyl)piperidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-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-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(1R)-1-methyl-1-(3-phenylpropyl)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(C2CCCC2)(C3=CC=CC=C3)O)CCCC4=CC=CC=C4

Isomeric SMILES

C[N@+]1(CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCC4=CC=CC=C4

InChI

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