ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-ethoxy-3-methylol-benzyl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H34NO5+ MolecularWeight: 380.49836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(CCOC)C(=O)OCC)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(CCOC)C(=O)OCC)CO

InChI

InChI=1S/C21H33NO5/c1-4-26-19-7-6-17(14-18(19)16-23)15-22-11-8-21(9-12-22,10-13-25-3)20(24)27-5-2/h6-7,14,23H,4-5,8-13,15-16H2,1-3H3/p+1