ethyl (3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3,4-dichlorobenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H20Cl2NO2+ MolecularWeight: 317.2308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H19Cl2NO2/c1-2-20-15(19)12-4-3-7-18(10-12)9-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/p+1/t12-/m1/s1