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

Systemtic Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-ethoxy-3-methylol-benzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H36NO5+ MolecularWeight: 442.56774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC)CO

InChI

InChI=1S/C26H35NO5/c1-3-30-24-11-10-21(18-22(24)20-28)19-27-15-12-26(13-16-27,25(29)31-4-2)14-17-32-23-8-6-5-7-9-23/h5-11,18,28H,3-4,12-17,19-20H2,1-2H3/p+1