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

Systemtic Name: [2-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] 2-chloranylbenzoate bromide Openeye Name: [2-[1-(2-ethoxy-2-oxo-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] 2-chlorobenzoate bromide CAS Name: 2-chlorobenzoic 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-chlorobenzoate bromide Traditional Name: 2-chlorobenzoic acid [2-[1-(2-ethoxy-2-keto-ethyl)pyrrolidin-1-ium-1-yl]-1-phenyl-ethyl] ester bromide Formula: C23H27BrClNO4 MolecularWeight: 496.82178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1(CCCC1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Br-]

InChI

InChI=1S/C23H27ClNO4.BrH/c1-2-28-22(26)17-25(14-8-9-15-25)16-21(18-10-4-3-5-11-18)29-23(27)19-12-6-7-13-20(19)24;/h3-7,10-13,21H,2,8-9,14-17H2,1H3;1H/q+1;/p-1