[2-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] benzoate bromide

Systemtic Name: [2-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] benzoate bromide Openeye Name: [2-[1-(2-ethoxy-2-oxo-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] benzoate bromide CAS Name: benzoic acid [2-[1-(2-ethoxy-2-oxoethyl)-1-pyrrolidin-1-iumyl]-1-phenylethyl] ester bromide IUPAC Name: [2-[1-(2-ethoxy-2-oxoethyl)pyrrolidin-1-ium-1-yl]-1-phenylethyl] benzoate bromide Traditional Name: benzoic acid [2-[1-(2-ethoxy-2-keto-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] ester bromide Formula: C23H28BrNO4 MolecularWeight: 462.37672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H28NO4.BrH/c1-2-27-22(25)18-24(15-9-10-16-24)17-21(19-11-5-3-6-12-19)28-23(26)20-13-7-4-8-14-20;/h3-8,11-14,21H,2,9-10,15-18H2,1H3;1H/q+1;/p-1