ethyl 1-methyl-4-phenyl-piperidin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-methyl-4-phenyl-piperidin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-methyl-4-phenyl-piperidin-1-ium-3-carboxylate bromide CAS Name: 1-methyl-4-phenyl-3-piperidin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide Traditional Name: 1-methyl-4-phenyl-piperidin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C15H22BrNO2 MolecularWeight: 328.24468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CCC1C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CCOC(=O)C1C[NH+](CCC1C2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C15H21NO2.BrH/c1-3-18-15(17)14-11-16(2)10-9-13(14)12-7-5-4-6-8-12;/h4-8,13-14H,3,9-11H2,1-2H3;1H