ethyl 1-ethyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-ethyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-ethyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-ethyl-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-ethyl-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-ethyl-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC.[Cl-]

Isomeric SMILES

CC[NH+]1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC.[Cl-]

InChI

InChI=1S/C16H23NO2.ClH/c1-3-17-12-10-16(11-13-17,15(18)19-4-2)14-8-6-5-7-9-14;/h5-9H,3-4,10-13H2,1-2H3;1H