ethyl 1-[[4-(2-hydroxyethyloxy)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-(2-hydroxyethyloxy)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(2-hydroxyethoxy)benzyl]-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=CC=C(C=C2)OCCO)CC3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-3-30-24(28)25(18-21-5-4-6-23(17-21)29-2)11-13-26(14-12-25)19-20-7-9-22(10-8-20)31-16-15-27/h4-10,17,27H,3,11-16,18-19H2,1-2H3/p+1