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

Systemtic Name: ethyl 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-ethoxy-2-hydroxy-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:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC

InChI

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