ethyl 1-(2-oxidanyl-3-phenoxy-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-(2-oxidanyl-3-phenoxy-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(2-hydroxy-3-phenoxy-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(2-hydroxy-3-phenoxypropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C23H30ClNO4 MolecularWeight: 419.9416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(COC2=CC=CC=C2)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(COC2=CC=CC=C2)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO4.ClH/c1-2-27-22(26)23(19-9-5-3-6-10-19)13-15-24(16-14-23)17-20(25)18-28-21-11-7-4-8-12-21;/h3-12,20,25H,2,13-18H2,1H3;1H