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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1=O)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1=O)CC2=CC=CC=C2.[Cl-]

InChI

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