ethyl 1-(3-oxidanylidenebutyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-(3-oxidanylidenebutyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-(3-oxobutyl)-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-(3-oxobutyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-(3-oxobutyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-(3-ketobutyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3.ClH/c1-3-22-17(21)18(16-7-5-4-6-8-16)10-13-19(14-11-18)12-9-15(2)20;/h4-8H,3,9-14H2,1-2H3;1H