(2S)-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[2-oxo-2-(p-tolyl)ethyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[2-(4-methylphenyl)-2-oxoethyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[2-keto-2-(p-tolyl)ethyl]pyrrolidin-1-ium-2-carboxylate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[NH+]2CCCC2C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[NH+]2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C14H17NO3/c1-10-4-6-11(7-5-10)13(16)9-15-8-2-3-12(15)14(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)/t12-/m0/s1