ethyl (2R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCCC2C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCCC[C@@H]2C(=O)OCC)OC

InChI

InChI=1S/C18H27NO4/c1-4-22-17-12-14(9-10-16(17)21-3)13-19-11-7-6-8-15(19)18(20)23-5-2/h9-10,12,15H,4-8,11,13H2,1-3H3/p+1/t15-/m1/s1