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

Systemtic Name: (2S)-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-(p-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-methylbenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-10-4-6-11(7-5-10)9-14-8-2-3-12(14)13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)/t12-/m0/s1