ethyl 4-[(4-chlorophenyl)methyl]-1-ethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-ethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-ethyl-piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-ethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-ethylpiperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-ethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25ClNO2+ MolecularWeight: 310.8389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)(CC2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)(CC2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C17H24ClNO2/c1-3-19-11-9-17(10-12-19,16(20)21-4-2)13-14-5-7-15(18)8-6-14/h5-8H,3-4,9-13H2,1-2H3/p+1