ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate bromide CAS Name: 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(4-ethoxycarbonylphenoxy)ethyl]-4-phenylpiperidin-1-ium-4-carboxylate bromide Traditional Name: 1-[2-(4-carbethoxyphenoxy)ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C25H32BrNO5 MolecularWeight: 506.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC[NH+]2CCC(CC2)(C3=CC=CC=C3)C(=O)OCC.[Br-]

InChI

InChI=1S/C25H31NO5.BrH/c1-3-29-23(27)20-10-12-22(13-11-20)31-19-18-26-16-14-25(15-17-26,24(28)30-4-2)21-8-6-5-7-9-21;/h5-13H,3-4,14-19H2,1-2H3;1H