[(3R)-1-methyl-1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate methanoate

Systemtic Name: [(3R)-1-methyl-1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-oxidanyl-ethanoate methanoate Openeye Name: [(3R)-1-methyl-1-[3-(1-naphthyloxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetate formate CAS Name: 2-cyclohexyl-2-(2-furanyl)-2-hydroxyacetic acid [(3R)-1-methyl-1-[3-(1-naphthalenyloxy)propyl]-3-pyrrolidin-1-iumyl] ester formate IUPAC Name: [(3R)-1-methyl-1-(3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate formate Traditional Name: 2-cyclohexyl-2-(2-furyl)-2-hydroxy-acetic acid [(3R)-1-methyl-1-[3-(1-naphthoxy)propyl]pyrrolidin-1-ium-3-yl] ester formate Formula: C31H39NO7 MolecularWeight: 537.64386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CO3)O)CCCOC4=CC=CC5=CC=CC=C54.C(=O)[O-]

Isomeric SMILES

C[N+]1(CC[C@H](C1)OC(=O)C(C2CCCCC2)(C3=CC=CO3)O)CCCOC4=CC=CC5=CC=CC=C54.C(=O)[O-]

InChI

InChI=1S/C30H38NO5.CH2O2/c1-31(18-9-21-34-27-15-7-11-23-10-5-6-14-26(23)27)19-17-25(22-31)36-29(32)30(33,28-16-8-20-35-28)24-12-3-2-4-13-24;2-1-3/h5-8,10-11,14-16,20,24-25,33H,2-4,9,12-13,17-19,21-22H2,1H3;1H,(H,2,3)/q+1;/p-1/t25-,30?,31?;/m1./s1