ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2,5-dimethoxybenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-4-22-17(19)13-7-9-18(10-8-13)12-14-11-15(20-2)5-6-16(14)21-3/h5-6,11,13H,4,7-10,12H2,1-3H3/p+1