ethyl (3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-4-22-17(19)13-6-5-9-18(11-13)12-14-10-15(20-2)7-8-16(14)21-3/h7-8,10,13H,4-6,9,11-12H2,1-3H3/p+1/t13-/m1/s1