ethyl (2S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=C(C=C2C)OC)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=CC(=C(C=C2C)OC)C

InChI

InChI=1S/C18H27NO3/c1-5-22-18(20)16-8-6-7-9-19(16)12-15-10-14(3)17(21-4)11-13(15)2/h10-11,16H,5-9,12H2,1-4H3/p+1/t16-/m0/s1