ethyl 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO5+ MolecularWeight: 324.39204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C17H25NO5/c1-4-23-17(20)13-5-7-18(8-6-13)11-12-9-14(21-2)16(19)15(10-12)22-3/h9-10,13,19H,4-8,11H2,1-3H3/p+1