[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-phenyl-ethanoate

Systemtic Name: [1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-phenyl-ethanoate Openeye Name: (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-phenylacetic acid [1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate Traditional Name: 2-cyclohexyl-2-phenyl-acetic acid (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) ester Formula: C26H34NO2+ MolecularWeight: 392.55366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34NO2/c1-27(19-21-11-5-2-6-12-21)18-17-24(20-27)29-26(28)25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-3,5-8,11-14,23-25H,4,9-10,15-20H2,1H3/q+1