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

Systemtic Name: [1-[3-(2-chloranylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: [1-[3-(2-chlorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-[3-(2-chlorophenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester chloride IUPAC Name: [1-[3-(2-chlorophenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-[3-(2-chlorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester chloride Formula: C27H35Cl2NO4 MolecularWeight: 508.4771

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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=CC=C4Cl.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClNO4.ClH/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;1H/q+1;/p-1