[(3R)-1-[3-(3-cyanophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate

Systemtic Name: [(3R)-1-[3-(3-cyanophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate Openeye Name: [(3R)-1-[3-(3-cyanophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetate CAS Name: 2-cyclohexyl-2-(2-furanyl)-2-hydroxyacetic acid [(3R)-1-[3-(3-cyanophenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3R)-1-[3-(3-cyanophenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate Traditional Name: 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetic acid [(3R)-1-[3-(3-cyanophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C27H35N2O5+ MolecularWeight: 467.5772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CO3)O)CCCOC4=CC=CC(=C4)C#N

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CO3)O)CCCOC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H35N2O5/c1-29(14-7-17-32-23-11-5-8-21(18-23)19-28)15-13-24(20-29)34-26(30)27(31,25-12-6-16-33-25)22-9-3-2-4-10-22/h5-6,8,11-12,16,18,22,24,31H,2-4,7,9-10,13-15,17,20H2,1H3/q+1/t24-,27?,29?/m1/s1