ethyl 1-[[3-(2-hydroxyethyloxy)phenyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-hydroxyethyloxy)phenyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-hydroxyethoxy)phenyl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-hydroxyethoxy)benzyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H36NO4+ MolecularWeight: 426.56834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)OCCO)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)OCCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H35NO4/c1-2-30-25(29)26(13-7-11-22-8-4-3-5-9-22)14-16-27(17-15-26)21-23-10-6-12-24(20-23)31-19-18-28/h3-6,8-10,12,20,28H,2,7,11,13-19,21H2,1H3/p+1