ethyl 4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 4-oxidanylidene-1-(phenylmethyl)piperidin-1-ium-3-carboxylate chloride Openeye Name: ethyl 1-benzyl-4-oxo-piperidin-1-ium-3-carboxylate chloride CAS Name: 4-oxo-1-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-benzyl-4-oxopiperidin-1-ium-3-carboxylate chloride Traditional Name: 1-benzyl-4-keto-piperidin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[NH+](CCC1=O)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C1C[NH+](CCC1=O)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H