1-ethyl-1-(2-oxidanylidene-3-phenyl-propanoyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-ethyl-1-(2-oxidanylidene-3-phenyl-propanoyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-ethyl-1-(2-oxo-3-phenyl-propanoyl)piperidin-1-ium-2-carboxylate CAS Name: 1-(1,2-dioxo-3-phenylpropyl)-1-ethyl-2-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-1-(2-oxo-3-phenylpropanoyl)piperidin-1-ium-2-carboxylate Traditional Name: 1-ethyl-1-(2-keto-3-phenyl-propanoyl)piperidin-1-ium-2-carboxylate Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1C(=O)[O-])C(=O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[N+]1(CCCCC1C(=O)[O-])C(=O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21NO4/c1-2-18(11-7-6-10-14(18)17(21)22)16(20)15(19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3