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

Systemtic Name: ethyl 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-ethoxy-4-hydroxy-benzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-3-29-23-18-20(10-11-22(23)27)19-26-15-12-25(13-16-26,24(28)30-4-2)14-17-31-21-8-6-5-7-9-21/h5-11,18,27H,3-4,12-17,19H2,1-2H3/p+1