ethyl 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2,5-dimethoxybenzyl)-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=CC(=C2)OC)OC)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C=CC(=C2)OC)OC)CC3=CC(=CC=C3)OC

InChI

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