(2S)-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-(m-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-methylbenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-10-4-2-5-11(8-10)9-14-7-3-6-12(14)13(15)16/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,16)/t12-/m0/s1