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

Systemtic Name: [2-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] 2-ethoxybenzoate bromide Openeye Name: [2-[1-(2-ethoxy-2-oxo-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] 2-ethoxybenzoate bromide CAS Name: 2-ethoxybenzoic 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] 2-ethoxybenzoate bromide Traditional Name: 2-ethoxybenzoic acid [2-[1-(2-ethoxy-2-keto-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] ester bromide Formula: C25H32BrNO5 MolecularWeight: 506.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC(C[N+]2(CCCC2)CC(=O)OCC)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC(C[N+]2(CCCC2)CC(=O)OCC)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H32NO5.BrH/c1-3-29-22-15-9-8-14-21(22)25(28)31-23(20-12-6-5-7-13-20)18-26(16-10-11-17-26)19-24(27)30-4-2;/h5-9,12-15,23H,3-4,10-11,16-19H2,1-2H3;1H/q+1;/p-1