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

Systemtic Name: [1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) ester bromide Formula: C25H32BrNO3 MolecularWeight: 474.43048

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)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H32NO3.BrH/c1-26(18-20-10-4-2-5-11-20)17-16-23(19-26)29-24(27)25(28,22-14-8-9-15-22)21-12-6-3-7-13-21;/h2-7,10-13,22-23,28H,8-9,14-19H2,1H3;1H/q+1;/p-1