(3S)-1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-2-12-5-7-13(8-6-12)15(18)11-17-9-3-4-14(10-17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m0/s1