ethyl (3R)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-3-(o-tolylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(4-hydroxy-3,5-dimethoxy-benzyl)-3-(2-methylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)O)OC)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)O)OC)CC3=CC=CC=C3C

InChI

InChI=1S/C25H33NO5/c1-5-31-24(28)25(15-20-10-7-6-9-18(20)2)11-8-12-26(17-25)16-19-13-21(29-3)23(27)22(14-19)30-4/h6-7,9-10,13-14,27H,5,8,11-12,15-17H2,1-4H3/p+1/t25-/m1/s1