ethyl (3R)-3-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-benzyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-benzyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-benzyl-1-(2,3,4-trimethoxybenzyl)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=C(C(=C(C=C2)OC)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=C(C(=C(C=C2)OC)OC)OC)CC3=CC=CC=C3

InChI

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