ethyl (3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO5+ MolecularWeight: 338.41862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5/c1-5-24-18(20)14-7-6-8-19(12-14)11-13-9-15(21-2)17(23-4)16(10-13)22-3/h9-10,14H,5-8,11-12H2,1-4H3/p+1/t14-/m1/s1