[1-methyl-1-[3-(4-phenylphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: [1-methyl-1-[3-(4-phenylphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: [1-methyl-1-[3-(4-phenylphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-methyl-1-[3-(4-phenylphenoxy)propyl]-3-pyrrolidin-1-iumyl] ester chloride IUPAC Name: [1-methyl-1-[3-(4-phenylphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-methyl-1-[3-(4-phenylphenoxy)propyl]pyrrolidin-1-ium-3-yl] ester chloride Formula: C33H40ClNO4 MolecularWeight: 550.128

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=C(C=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=C(C=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C33H40NO4.ClH/c1-34(22-10-24-37-30-19-17-27(18-20-30)26-11-4-2-5-12-26)23-21-31(25-34)38-32(35)33(36,29-15-8-9-16-29)28-13-6-3-7-14-28;/h2-7,11-14,17-20,29,31,36H,8-10,15-16,21-25H2,1H3;1H/q+1;/p-1