ethyl 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-benzyloxyphenyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-benzoxybenzyl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3)CCOC

InChI

InChI=1S/C25H33NO4/c1-3-29-24(27)25(14-17-28-2)12-15-26(16-13-25)19-22-10-7-11-23(18-22)30-20-21-8-5-4-6-9-21/h4-11,18H,3,12-17,19-20H2,1-2H3/p+1