1-[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2-ethoxyphenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-ethoxyphenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2-ethoxyphenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-keto-2-o-phenetyl-ethyl)piperidin-1-ium-4-carboxylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-2-21-15-6-4-3-5-13(15)14(18)11-17-9-7-12(8-10-17)16(19)20/h3-6,12H,2,7-11H2,1H3,(H,19,20)