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

Systemtic Name: ethyl (3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-veratrylpiperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-4-22-17(19)14-6-5-9-18(12-14)11-13-7-8-15(20-2)16(10-13)21-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3/p+1/t14-/m1/s1