ethyl 1-[[4-(2-hydroxyethyloxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[4-(2-hydroxyethyloxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(2-hydroxyethoxy)phenyl]methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(2-hydroxyethoxy)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:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)OCCO)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)OCCO)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5/c1-2-29-24(28)25(14-18-30-22-6-4-3-5-7-22)12-15-26(16-13-25)20-21-8-10-23(11-9-21)31-19-17-27/h3-11,27H,2,12-20H2,1H3/p+1