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

Systemtic Name: ethyl (2R)-1-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[5-(2,5-dimethoxyphenyl)-2-hydroxy-phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[5-(2,5-dimethoxyphenyl)-2-hydroxy-benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C=CC(=C2)C3=C(C=CC(=C3)OC)OC)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(C=CC(=C2)C3=C(C=CC(=C3)OC)OC)O

InChI

InChI=1S/C23H29NO5/c1-4-29-23(26)20-7-5-6-12-24(20)15-17-13-16(8-10-21(17)25)19-14-18(27-2)9-11-22(19)28-3/h8-11,13-14,20,25H,4-7,12,15H2,1-3H3/p+1/t20-/m1/s1