ethyl 1-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-[2-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxyethyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-[2-(2-hydroxy-1-oxo-2,2-diphenylethoxy)ethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(2-benziloyloxyethyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C30H34ClNO5 MolecularWeight: 524.04766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H33NO5.ClH/c1-2-35-27(32)29(24-12-6-3-7-13-24)18-20-31(21-19-29)22-23-36-28(33)30(34,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-17,34H,2,18-23H2,1H3;1H