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

Systemtic Name: ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide Openeye Name: ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide CAS Name: 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylate bromide Traditional Name: 4-phenyl-1-[2-(4-phenylphenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C28H32BrNO3 MolecularWeight: 510.46258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H31NO3.BrH/c1-2-31-27(30)28(25-11-7-4-8-12-25)17-19-29(20-18-28)21-22-32-26-15-13-24(14-16-26)23-9-5-3-6-10-23;/h3-16H,2,17-22H2,1H3;1H