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

Systemtic Name: [1-[3-(2-chloranylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[3-(2-chlorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[3-(2-chlorophenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[3-(2-chlorophenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[3-(2-chlorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C27H35ClNO4+ MolecularWeight: 473.0241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=CC=C4Cl

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=CC=C4Cl

InChI

InChI=1S/C27H35ClNO4/c1-29(17-9-19-32-25-15-8-7-14-24(25)28)18-16-23(20-29)33-26(30)27(31,22-12-5-6-13-22)21-10-3-2-4-11-21/h2-4,7-8,10-11,14-15,22-23,31H,5-6,9,12-13,16-20H2,1H3/q+1