1-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)-2-keto-ethyl]piperidin-1-ium-4-carboxylate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C[NH+]2CCC(CC2)C(=O)[O-])C

InChI

InChI=1S/C16H21NO3/c1-11-3-4-14(9-12(11)2)15(18)10-17-7-5-13(6-8-17)16(19)20/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20)