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

Systemtic Name: 1-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-isopropylphenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-keto-2-p-cumenyl-ethyl)piperidin-1-ium-4-carboxylate Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C17H23NO3/c1-12(2)13-3-5-14(6-4-13)16(19)11-18-9-7-15(8-10-18)17(20)21/h3-6,12,15H,7-11H2,1-2H3,(H,20,21)